SCHEMBL12632147

SCHEMBL12632147

CC(C)(C)c1cc(-c2ccncc2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.50
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ NOTUM Q6P988 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ EIF4H Q15056 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ PRKCI P41743 3/20 0.35
▸ QDPR P09417 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL12529424 0.82 HDAC6 (0.43) KIF11MAPTLMNANOTUMSMN1; SMN2
SCHEMBL12529444 0.80 DYRK1A (0.62) KIF11DYRK1ADYRK1BCYP11B1CYP11B2
SCHEMBL14817169 0.80 TSHR (0.38) KIF11MAPTLMNANOTUMSMN1; SMN2
SCHEMBL18858485 0.78 ALAD (0.47) KIF11MAPTLMNASMN1; SMN2NPC1
SCHEMBL12529448 0.78 ALAD (0.47) MAPTNPC1RAB9AAKT1CYP1A2
SCHEMBL26781848 0.78 CYP2A6 (0.36) DYRK1ADYRK1B
SCHEMBL26781853 0.75 HSD17B1 (0.41) KIF11TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL668112 0.75 MAPK14 (0.50) CYP3A4
SCHEMBL24037300 0.74 HRH4 (0.36) KIF11
SCHEMBL24037301 0.74 COMT (0.36) KIF11MAPTSMN1; SMN2NPC1HPGD

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-7947684-B2 anticoagulants; immunomoderators; antiinflammatory agents AVENTIS PHARMACEUTICALS INC. (US) 2011-05-24 — — US disclosed
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