SCHEMBL11647491

SCHEMBL11647491

Cc1cc(N=Nc2ccc(N)cc2C(F)(F)F)c(C)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.43
▸ POLB P06746 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 4/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ CASP1 P29466 1/20 0.39
▸ CYP3A4 P08684 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ AR P10275 2/20 0.35
▸ MAPK1 P28482 3/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34

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
SCHEMBL11647487 1.00 TSHR (0.43) TSHRPOLBGLAGAARAB9A
SCHEMBL9611207 0.87 POLB (0.48) TSHRPOLBGLAGAARAB9A
SCHEMBL11648036 0.87 POLB (0.48) TSHRPOLBGLAGAARAB9A
SCHEMBL11648927 0.85 POLB (0.38) TSHRPOLBGLAGAARAB9A
SCHEMBL11648931 0.85 POLB (0.38) TSHRPOLBGLAGAARAB9A
SCHEMBL20258497 0.83 TSHR (0.59) TSHRPOLBGLAGAARAB9A
SCHEMBL10035793 0.83 TSHR (0.59) TSHRPOLBGLAGAARAB9A
SCHEMBL11683549 0.82 CYP3A4 (0.51) TSHRPOLBRAB9AMEN1KMT2A
SCHEMBL11414728 0.78 RAB9A (0.43) TSHRPOLBGLAGAARAB9A
SCHEMBL11414723 0.78 RAB9A (0.43) TSHRPOLBGLAGAARAB9A

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-4093613-A Trisazo pigments containing two barbituric acid coupling components CIBA-GEIGY CORPORATION (US) 1978-06-06 — — US disclosed
US-4043999-A Methyl or methoxy substituted iminoisoindolinone pigments CIBA-GEIGY CORPORATION (US) 1977-08-23 — — US disclosed
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