SCHEMBL940952

SCHEMBL940952

Nc1ccc(C2(c3ccc(N)cc3)CCCCCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
ESR1 P03372 4/20 0.60
ESR2 Q92731 4/20 0.60
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
CYP19A1 P11511 2/20 0.41
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
PSMB2 P49721 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BACE1 P56817 2/20 0.40
HSD11B2 P80365 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL100902 1.00 ALDH1A1 (1.00) ALDH1A1L3MBTL1ESR1ESR2MAPT
SCHEMBL23198924 1.00 ALDH1A1 (1.00) ALDH1A1L3MBTL1ESR1ESR2MAPT
SCHEMBL3004319 0.97 ALDH1A1 (0.95) ALDH1A1L3MBTL1ESR1ESR2MAPT
SCHEMBL8152715 0.93 ALDH1A1 (0.87) ALDH1A1L3MBTL1ESR1ESR2MAPT
Bicarbonate SCHEMBL3478378 0.89 ALDH1A1 (0.80) ALDH1A1L3MBTL1ESR1ESR2MAPT
SCHEMBL12893225 0.89 ESR1 (0.80) ALDH1A1L3MBTL1ESR1ESR2MAPT
SCHEMBL9973089 0.89 ALDH1A1 (0.80) ALDH1A1L3MBTL1ESR1ESR2MAPT
SCHEMBL1305910 0.88 ALDH1A1 (0.77) ALDH1A1L3MBTL1ESR1ESR2MAPT
SCHEMBL1305524 0.88 ALDH1A1 (0.77) ALDH1A1L3MBTL1ESR1ESR2MAPT
SCHEMBL940896 0.87 ALDH1A1 (0.76) ALDH1A1L3MBTL1ESR1ESR2MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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