SCHEMBL9565637

SCHEMBL9565637

COc1cc(-c2ccccc2)nc(-c2cccc(C)n2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.56
ALDH1A1 P00352 2/20 0.56
NPC1 O15118 1/20 0.56
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
ATM Q13315 3/20 0.47
TSHR P16473 2/20 0.47
ADORA1 P30542 2/20 0.47
MAPK1 P28482 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
SQOR Q9Y6N5 2/20 0.45
CCR1 P32246 1/20 0.44
CCR8 P51685 1/20 0.44
HPGD P15428 3/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42
TGFBR1 P36897 1/20 0.41
CYP1A2 P05177 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
SCHEMBL23636144 0.85 CCR1 (0.56) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL8854898 0.85 MEN1 (0.51) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL14733154 0.83 CCR1 (0.48) ALDH1A1KMT2ACCR1CCR8HPGD
SCHEMBL10537342 0.82 CCR1 (0.42) RAB9AALDH1A1NPC1CCR1CCR8
SCHEMBL10539246 0.80 PDE2A (0.40) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL10541408 0.80 NPC1 (0.42) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL14733155 0.80 CCR1 (0.46) ALDH1A1MAPK1CCR1CCR8LMNA
SCHEMBL9027712 0.79 ALDH1A1 (0.50) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL10965468 0.78 ALDH1A1 (0.59) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL8951931 0.78 CCR1 (0.47) RAB9AALDH1A1NPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4873248-A Pyridinylpyrimidines having fungicidal activity SUMITOMO CHEMICAL CO., LTD. (JP) 1989-10-10 US claimed
US-5240926-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1993-08-31 US disclosed
EP-0529468-A1 Substituted pyridyltriazines, process for their preparation, their use and intermediates BAYER AG (DE) 1993-03-03 EP disclosed