SCHEMBL940110

SCHEMBL940110

Nc1ccc2c(c1)C(C=O)c1cc(N)ccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
TSHR P16473 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP3A4 P08684 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 4/20 0.36
PTPRC P08575 2/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
APAF1 O14727 1/20 0.36
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
PLA2G1B P04054 1/20 0.36
CTSL P07711 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29844491 1.00 ALDH1A1 (0.38) ALDH1A1RAB9ANPC1TSHRSMN1; SMN2
SCHEMBL28271273 0.92 NPC1 (0.37) ALDH1A1RAB9ANPC1TSHRSMN1; SMN2
SCHEMBL8518637 0.91 ALDH1A1 (0.44) ALDH1A1RAB9ANPC1TSHRSMN1; SMN2
SCHEMBL27706296 0.79 NPC1 (0.44) ALDH1A1RAB9ANPC1TSHRSMN1; SMN2
SCHEMBL18748423 0.74 S100A4 (0.41) ALDH1A1TP53TDP1MEN1KMT2A
SCHEMBL18748412 0.74 S100A4 (0.41) ALDH1A1MAPK1PTPRCTDP2S100A4
SCHEMBL28237084 0.74 DYRK1A (0.56) HSD17B10CDK5CHRNB2CHRNA4CDK5R1
SCHEMBL28023540 0.74 GRK6 (0.41) ALDH1A1RAB9ANPC1TSHRSMN1; SMN2
SCHEMBL28081048 0.72 MEN1 (0.41) ALDH1A1RAB9ANPC1TSHRSMN1; SMN2
SCHEMBL942131 0.72 TSHR (0.39) ALDH1A1RAB9ANPC1TSHRSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117599846-A Proton-conducting organic porous membrane catalyst and preparation method and application thereof 中国科学院福建物质结构研究所 2024-02-27 CN disclosed
CN-110591079-B Preparation method of monofunctional nonlinear polyethylene glycol 厦门赛诺邦格生物科技股份有限公司 2022-08-02 CN disclosed
CN-110591079-A Preparation method of monofunctional nonlinear polyethylene glycol 厦门赛诺邦格生物科技股份有限公司 2019-12-20 CN disclosed
US-8840559-B2 Organic piezoelectric material, ultrasonic oscillator using the material, method for manufacturing the ultrasonic oscillator, ultrasonic probe, and ultrasonic medical diagnostic imaging device KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2014-09-23 US disclosed
US-20110021917-A1 ORGANIC PIEZOELECTRIC MATERIAL FILM, METHOD FOR PRODUCTION OF THE SAME, METHOD FOR PRODUCTION OF ULTRASONIC OSCILLATOR USING THE SAME, AND ULTRASONIC MEDICAL IMAGING INSTRUMENT KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-01-27 US disclosed
US-20110021916-A1 ORGANIC PIEZOELECTRIC MATERIAL, ULTRASONIC OSCILLATOR USING THE MATERIAL, METHOD FOR MANUFACTURING THE ULTRASONIC OSCILLATOR, ULTRASONIC PROBE, AND ULTRASONIC MEDICAL DIAGNOSTIC IMAGING DEVICE KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-01-27 US disclosed
US-20110021918-A1 ORGANIC PIEZOELECTRIC MATERIAL FILM, METHOD FOR PRODUCTION OF ORGANIC PIEZOELECTRIC MATERIAL FILM, METHOD FOR PRODUCTION OF ULTRASONIC OSCILLATOR, AND ULTRASONIC MEDICAL IMAGING INSTRUMENT KONICA MINOLTA MEDICAL & GRAPHIC INC. (JP) 2011-01-27 US disclosed
US-20110004102-A1 ORGANIC PIEZOELECTRIC MATERIAL, ULTRASONIC OSCILLATOR USING THE SAME, METHOD FOR PRODUCING THE ULTRASONIC OSCILLATOR, ULTRASONIC PROBE AND ULTRASONIC MEDICAL DIAGNOSTIC IMAGING DEVICE KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-01-06 US disclosed