SCHEMBL9875643

SCHEMBL9875643

Sc1ncc[nH]1.c1ccc2c(-c3cnccn3)c3ccccc3nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.48
CYP3A4 P08684 5/20 0.39
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
PIM1 P11309 2/20 0.35
KMT2A Q03164 2/20 0.34
RAD52 P43351 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL9876002 0.86 LMNA (0.44) METAP2CYP3A4ALDH1A1LMNAMAPT
SCHEMBL29660606 0.84 METAP2 (0.54) METAP2CYP3A4ALDH1A1LMNAMAPT
SCHEMBL321962 0.84 METAP2 (0.54) METAP2CYP3A4ALDH1A1LMNAMAPT
SCHEMBL9875363 0.82 F2 (0.45) CYP3A4ALDH1A1LMNAMAPTCYP1A2
SCHEMBL9876096 0.81 AR (0.40) CYP3A4ALDH1A1LMNAMAPTCYP1A2
SCHEMBL9875902 0.80 ESR1 (0.49) CYP3A4ALDH1A1LMNAMAPTCYP1A2
SCHEMBL9876007 0.80 ESR1 (0.42) CYP3A4ALDH1A1LMNAMAPTCYP1A2
Phenazine SCHEMBL29069909 0.76 MAPT (0.46) METAP2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL22470160 0.69 PIM1 (0.46) METAP2CYP3A4ALDH1A1LMNANPSR1
SCHEMBL21560825 0.68 PIM1 (0.46) METAP2CYP3A4ALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045433-A Photopolymerization initiators HITACHI CHEMICAL CO., LTD. (JP) 1991-09-03 US disclosed