SCHEMBL11089095

SCHEMBL11089095

O=C(O)c1nc2ccccc2cc1-c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DHODH Q02127 1/20 0.48
KDM6B O15054 1/20 0.46
KDM4A O75164 1/20 0.46
KDM5C P41229 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
KDM3A Q9Y4C1 1/20 0.46
MGAM O43451 2/20 0.44
PIN1 Q13526 1/20 0.43
CYP2C9 P11712 3/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 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
SCHEMBL31556386 1.00 KDM4E (0.50) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL31556394 0.87 IKBKB (0.45) KDM4EALDH1A1KMT2AMEN1DHODH
SCHEMBL2001891 0.79 ALDH1A1 (0.57) KDM4EALDH1A1KMT2AMEN1MAPT
Pyridine SCHEMBL2285312 0.79 ALDH1A1 (0.50) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL28765720 0.76 KDM4E (0.56) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL6342333 0.75 LMNA (0.50) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL8329240 0.75 ALDH1A1 (0.56) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL4602438 0.75 ALDH1A1 (0.53) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL28962070 0.74 NPC1 (0.53) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL8915214 0.74 KDM4E (0.50) KDM4EALDH1A1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4490535-A 4-(3- and 4-Chlorocyclohex-3-enyl)pyridine intermediates ETHYL CORPORATION (US) 1984-12-25 US disclosed
US-4405792-A Substituted pyridines and their preparation ETHYL CORPORATION (US) 1983-09-20 US disclosed