SCHEMBL9729554

SCHEMBL9729554

CON=C(Cc1cccnc1)c1ccc(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.42
ALDH1A1 P00352 2/20 0.39
CDK9 P50750 1/20 0.39
P2RX7 Q99572 1/20 0.39
RORC P51449 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NAMPT P43490 1/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL22696 0.89 RAB9A (0.47) IDO1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL30697719 0.89 RAB9A (0.47) IDO1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL29586383 0.89 RAB9A (0.47) IDO1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL3066779 0.89 RAB9A (0.47) IDO1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL22695 0.89 RAB9A (0.47) IDO1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL9729571 0.88 IDO1 (0.42) IDO1ALDH1A1CDK9GAA
SCHEMBL9729502 0.88 IDO1 (0.42) IDO1ALDH1A1CDK9GAA
SCHEMBL28784244 0.88 RAB9A (0.46) IDO1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL9729507 0.88 IDO1 (0.42) IDO1ALDH1A1CDK9GAA
Methyl Alcohol SCHEMBL28193600 0.88 DRD4 (0.47) IDO1ALDH1A1KMT2ARAB9ANPC1

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-5171354-A Herbicides CIBA-GEIGY CORPORATION (US) 1992-12-15 US disclosed
EP-0445069-A1 Heterocyclic compounds CIBA-GEIGY AG (CH) 1991-09-04 EP disclosed