SCHEMBL3836486

SCHEMBL3836486

O=C(O)C(Nc1ccc(-n2c(=O)[nH]c3cc(NCc4ccc(F)cc4)ccc3c2=O)cc1)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 4/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HTR3A P46098 2/20 0.40
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ AR P10275 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ STING1 Q86WV6 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ERCC1 P07992 1/20 0.34
▸ DNASE1 P24855 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ ERCC4 Q92889 1/20 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
SCHEMBL1640680 0.91 RXFP1 (0.45) RXFP1TP53MAPTLMNASMN1; SMN2
SCHEMBL1639052 0.91 RXFP1 (0.40) RXFP1TP53MAPTLMNASMN1; SMN2
SCHEMBL27756536 0.86 RXFP1 (0.44) RXFP1TP53MAPTLMNASMN1; SMN2
SCHEMBL3834758 0.86 RXFP1 (0.41) RXFP1TP53MAPTLMNASMN1; SMN2
SCHEMBL1639088 0.80 RXFP1 (0.44) RXFP1TP53MAPTLMNASMN1; SMN2
SCHEMBL1640694 0.80 RAB9A (0.44) RXFP1TP53MAPTLMNASMN1; SMN2
SCHEMBL27777483 0.79 RXFP1 (0.43) RXFP1TP53MAPTLMNASMN1; SMN2
SCHEMBL27777360 0.78 HTR3A (0.47) RXFP1TP53MAPTLMNASMN1; SMN2
SCHEMBL14273359 0.74 RXFP1 (0.42) RXFP1TP53MAPTLMNASMN1; SMN2
SCHEMBL1639104 0.72 P2RY12 (0.48) RXFP1TP53MAPTLMNASMN1; SMN2

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
EP-2094272-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS Portola Pharmaceuticals, Inc. (US) 2009-09-02 — — EP disclosed
WO-2008036843-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-03-27 — — WO disclosed
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