SCHEMBL11539617

SCHEMBL11539617

CCC(c1ccccc1)(c1ccccc1)c1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.46
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP19A1 P11511 1/20 0.43
NOTUM Q6P988 1/20 0.41
KCNN4 O15554 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 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
SCHEMBL1971090 0.86 KCNN4 (0.48) KIF11CYP19A1KCNN4ALDH1A1TSHR
SCHEMBL10299579 0.82 KCNA5 (0.50) CYP19A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5999709 0.81 KIF11 (0.49) KIF11NOTUMKCNN4ALDH1A1TSHR
SCHEMBL29101427 0.75 KIF11 (0.40) KIF11CYP11B1CYP11B2NOTUMCYP1A2
SCHEMBL11152853 0.75 ESR1 (0.54) KIF11CYP19A1NOTUMALDH1A1TSHR
SCHEMBL6814948 0.74 ESR1 (0.59) KIF11CYP3A4ALDH1A1TSHRSLC6A2
SCHEMBL19670976 0.74 TAAR1 (0.50) KIF11CYP11B1CYP11B2NOTUMCYP2C19
SCHEMBL69485 0.74 ESR1 (0.59) KIF11CYP3A4ALDH1A1TSHRSLC6A2
SCHEMBL4339462 0.74 NOTUM (0.50) KIF11CYP11B1CYP11B2CYP19A1NOTUM
SCHEMBL370451 0.74 MIF (0.53) KIF11CYP11B1CYP11B2CYP19A1CYP1A2

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
US-4138488-A Diphenylmethyl picolinic acid derivatives and their use as anti-acne agents SCHERING CORPORATION (US) 1979-02-06 US disclosed