SCHEMBL4197137

SCHEMBL4197137

COC1=NC=CC(CC#N)N1c1nc2ccccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
MAPT P10636 6/20 0.41
LMNA P02545 4/20 0.41
RAB9A P51151 6/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
SMN1; SMN2 Q16637 7/20 0.37
NPC1 O15118 4/20 0.37
POLB P06746 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
P2RX3 P56373 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL4201459 0.91 LMNA (0.45) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL7707443 0.88 RAB9A (0.44) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL4190547 0.86 MAPK9 (0.39) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL4203402 0.86 RAB9A (0.43) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL5613965 0.86 ATP4A (0.35) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL5613884 0.86 HTR1A (0.35) MEN1KMT2AMAPTLMNARAB9A
Acetonitrile SCHEMBL7707450 0.86 MAPK9 (0.38) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL4197970 0.85 GPX4 (0.35) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL5613855 0.85 ALDH1A1 (0.37) LMNARAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL5613994 0.85 NPC1 (0.38) MEN1KMT2AMAPTLMNARAB9A

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
US-7259162-B2 Benzazole derivatives and their use as JNK modulators APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-21 US claimed
EP-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed
WO-2006104983-A1 THERAPEUTIC METHODS FOR TYPE I DIABETES UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2006-10-05 WO disclosed