SCHEMBL10013032

SCHEMBL10013032

C=CCn1c(S)nnc1COc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
LMNA P02545 6/20 0.54
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 4/20 0.42
KDM4E B2RXH2 3/20 0.42
PKM P14618 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 3/20 0.41
NLRP3 Q96P20 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6404305 0.86 ALDH1A1 (0.55) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL10012011 0.81 TSHR (0.52) ALDH1A1LMNANPC1RAB9ACYP1A2
SCHEMBL28820735 0.78 L3MBTL1 (0.54) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL10012725 0.74 ALDH1A1 (0.57) ALDH1A1LMNANPC1RAB9AHTT
SCHEMBL11887412 0.73 VCP (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13401049 0.71 L3MBTL1 (0.55) ALDH1A1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL4207370 0.70 ALDH1A1 (0.57) ALDH1A1LMNARAB9ACYP1A2CYP2C19
SCHEMBL6405892 0.70 MAPT (0.60) ALDH1A1LMNANPC1CYP1A2GAA
SCHEMBL11781808 0.70 ALDH1A1 (0.46) ALDH1A1LMNANPC1RAB9ACYP1A2
SCHEMBL11245537 0.70 CYP3A4 (0.46) ALDH1A1LMNACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907514-A Multifunctional fiber and preparation method and application thereof 北京洁尔爽高科技有限公司 2022-08-16 CN disclosed
US-8753895-B2 Surface modified metal nano-particle and use thereof Postech Academy-Industries Foundation (KR) 2014-06-17 US disclosed
US-20130252274-A1 Surface Modified Metal Nano-Particle and Use Thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2013-09-26 US disclosed
US-20120168681-A1 Surface Modified Metal Nano-Particle and Use Thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2012-07-05 US disclosed