SCHEMBL31228697

SCHEMBL31228697

NC(=O)c1cccccccccccccnccnccnccncccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.70
CYP2C19 P33261 2/20 0.70
POLB P06746 1/20 0.70
PARP1 P09874 1/20 0.70
MAPT P10636 1/20 0.70
TSHR P16473 1/20 0.70
RECQL P46063 1/20 0.70
BLM P54132 1/20 0.70
PMP22 Q01453 1/20 0.70
HSD17B10 Q99714 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
F7 P08709 1/20 0.61
F3 P13726 1/20 0.61
SARM1 Q6SZW1 1/20 0.61
SIRT2 Q8IXJ6 1/20 0.61
SIRT6 Q8N6T7 1/20 0.61
SIRT1 Q96EB6 1/20 0.61
SIRT3 Q9NTG7 1/20 0.61
SIRT5 Q9NXA8 1/20 0.61

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
Benzamide SCHEMBL1679183 0.98 CYP3A4 (0.73) CYP3A4CYP2C19POLBPARP1MAPT
Benzamide SCHEMBL1679005 0.96 CYP3A4 (0.76) CYP3A4CYP2C19POLBPARP1MAPT
Benzamide SCHEMBL27937969 0.92 CYP3A4 (0.64) CYP3A4CYP2C19POLBPARP1MAPT
Benzamide SCHEMBL28787993 0.89 CYP3A4 (0.73) CYP3A4CYP2C19POLBPARP1MAPT
Pyridine SCHEMBL11103170 0.89 CYP3A4 (0.58) CYP3A4CYP2C19POLBPARP1MAPT
Benzamide SCHEMBL27841146 0.87 CYP3A4 (0.70) CYP3A4CYP2C19POLBPARP1MAPT
Benzamide SCHEMBL28132124 0.84 PARP1 (0.89) CYP3A4CYP2C19POLBPARP1MAPT
Benzamide SCHEMBL3870712 0.84 PARP1 (0.89) CYP3A4CYP2C19POLBPARP1MAPT
Benzamide SCHEMBL8632915 0.84 PARP1 (0.89) CYP3A4CYP2C19POLBPARP1MAPT
Niacinamide SCHEMBL2745101 0.83 F7 (0.88) CYP3A4CYP2C19POLBPARP1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688789-A1 MACROCYCLIC RAS INHIBITORS Revolution Medicines, Inc. (US) 2026-02-11 EP disclosed
WO-2024211663-A9 MACROCYCLIC RAS INHIBITORS Revolution Medicines, Inc. (US) 2025-01-30 WO disclosed
WO-2024211663-A1 CONDENSED MACROCYCLIC COMPOUNDS AS RAS INHIBITORS Revolution Medicines, Inc. (US) 2024-10-10 WO disclosed