SCHEMBL27401020

SCHEMBL27401020

NCc1ccc(NC(=O)CNC(=O)Nc2ccc(CN)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.50
FPR2 P25090 1/20 0.49
TPSAB1 Q15661 4/20 0.49
NPC1 O15118 1/20 0.47
F7 P08709 4/20 0.46
F10 P00742 2/20 0.46
GHSR Q92847 1/20 0.46
F2 P00734 1/20 0.46
ROCK2 O75116 1/20 0.45
CNR1 P21554 1/20 0.45
TERT O14746 1/20 0.44
PRSS1 P07477 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
KLKB1 P03952 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43

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
SCHEMBL17975956 0.81 GHSR (0.53) TPSAB1NPC1GHSRROCK2CNR1
SCHEMBL4743832 0.77 CA2 (0.67) NPC1ROCK2HPGD
SCHEMBL8919908 0.77 ALDH1A1 (0.58) NPC1GHSRKLKB1ALDH1A1LOXL2
SCHEMBL4548599 0.77 TPSAB1 (0.48) TPSAB1PRSS1KLKB1
SCHEMBL1189878 0.77 CA12 (0.59) NPC1HPGDALDH1A1
SCHEMBL545945 0.77 SMN1; SMN2 (0.65) NPC1LMNA
SCHEMBL4548528 0.77 TPSAB1 (0.48) TPSAB1PRSS1KLKB1
SCHEMBL17976392 0.77 ABAT (0.61) KLKB1ALDH1A1
SCHEMBL23747520 0.76 RAB9A (0.73) NPC1CNR1
SCHEMBL16378812 0.76 NPC1 (0.64) TPSAB1NPC1ROCK2HPGDALDH1A1

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
CN-1046268-C Indolin-2-one derivatives CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-11-10 CN disclosed
CN-1117727-A Indolin-2-one derivative CHUGAI PHARMACEUTICAL CO LTD (JP) 1996-02-28 CN disclosed