SCHEMBL697291

SCHEMBL697291

C=C(c1ncc[nH]1)c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CSNK1A1 P48729 1/20 0.40
TYRO3 Q06418 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
NISCH Q9Y2I1 2/20 0.38
MTOR P42345 1/20 0.38
ADK P55263 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PAK4 O96013 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
SCHEMBL697619 0.87 KMT2A (0.41) KMT2ANPC1RAB9ACSNK1A1TYRO3
SCHEMBL698900 0.84 KMT2A (0.46) KMT2ANPC1RAB9ACSNK1A1TYRO3
SCHEMBL696517 0.82 TAAR1 (0.47) KMT2ANPC1RAB9ACSNK1A1TYRO3
SCHEMBL11266816 0.81 KMT2A (0.47) KMT2ANPC1RAB9ACSNK1A1TYRO3
SCHEMBL698561 0.81 TAAR1 (0.44) KMT2ANPC1RAB9ACSNK1A1TYRO3
SCHEMBL697294 0.81 KMT2A (0.37) KMT2ANPC1RAB9ACSNK1A1TYRO3
SCHEMBL697814 0.81 RAB9A (0.46) KMT2ANPC1RAB9AGLASMN1; SMN2
SCHEMBL28358852 0.80 KMT2A (0.67) KMT2ANPC1RAB9ACSNK1A1TYRO3
SCHEMBL698190 0.78 KMT2A (0.52) KMT2ANPC1RAB9ACSNK1A1TYRO3
SCHEMBL703857 0.78 KMT2A (0.39) KMT2ANPC1RAB9ACSNK1A1TYRO3

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
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed