SCHEMBL10380474

SCHEMBL10380474

O=C(O)C(NCc1cn(Cc2ccccc2)c2ccccc12)c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ICMT O60725 7/20 0.45
POLB P06746 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HTR6 P50406 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 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
SCHEMBL10380958 0.88 PLA2G2A (0.59) ADAM17LMNAALDH1A1ICMTHTR6
SCHEMBL9584665 0.87 POLB (0.54) LMNAALDH1A1POLBHDAC1HDAC8
SCHEMBL9583439 0.87 POLB (0.54) LMNAALDH1A1POLBHDAC1HDAC8
SCHEMBL9583565 0.87 POLB (0.54) LMNAALDH1A1POLBHDAC1HDAC8
SCHEMBL9584383 0.82 USP2 (0.50) ADAM17LMNAALDH1A1ICMTPOLB
Hydrochloric Acid SCHEMBL9584104 0.82 USP2 (0.49) ADAM17LMNAALDH1A1ICMTPOLB
SCHEMBL9585826 0.81 ICMT (0.53) ADAM17LMNAALDH1A1ICMTSMN1; SMN2
SCHEMBL9584364 0.81 ADAM17 (0.58) ADAM17LMNAALDH1A1ICMTPOLB
Water SCHEMBL10380911 0.80 ADAM17 (0.57) ADAM17LMNAALDH1A1ICMTPOLB
Water SCHEMBL10380909 0.80 ADAM17 (0.57) ADAM17LMNAALDH1A1ICMTPOLB

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
WO-1990005721-A1 ALPHA-AMINO-INDOLE-3-ACETIC ACIDS USEFUL AS ANTI-DIABETIC, ANTI-OBESITY AND ANTI-ATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1990-05-31 WO claimed