SCHEMBL24915424

SCHEMBL24915424

Cc1cccc(C[C@H](C)C(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
TAAR1 Q96RJ0 2/20 0.46
PARP1 P09874 1/20 0.46
IDO1 P14902 2/20 0.44
CTBP2 P56545 1/20 0.44
NR3C2 P08235 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK8 P45983 1/20 0.42
PLA2G10 O15496 3/20 0.41
PLA2G2A P14555 3/20 0.41
PLA2G1B P04054 1/20 0.41
PLA2G5 P39877 1/20 0.41
PLA2G2C Q5R387 1/20 0.41
PLA2G12B Q9BX93 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
SCHEMBL4469435 0.84 CTBP2 (0.49) POLBCTBP2KDM4EHSD17B10MEN1
SCHEMBL9631293 0.84 MAOB (0.45) POLBTAAR1IDO1CTBP2HSD17B10
SCHEMBL19295495 0.84 CTBP2 (0.49) POLBCTBP2KDM4EHSD17B10MEN1
SCHEMBL24899382 0.84 MAOB (0.45) POLBTAAR1IDO1CTBP2HSD17B10
SCHEMBL14431748 0.83 NOS3 (0.51) POLBTAAR1PARP1IDO1
SCHEMBL934633 0.83 GRIA2 (0.49) TAAR1PARP1CTBP2KDM4EMAPT
SCHEMBL14432430 0.83 NOS3 (0.51) POLBTAAR1PARP1IDO1
SCHEMBL14016346 0.83 POLB (0.47) POLBTAAR1PARP1IDO1CTBP2
SCHEMBL28662062 0.83 ADRB2 (0.45) ALDH1A1PLA2G10PLA2G2APLA2G1BPLA2G5
SCHEMBL14672775 0.82 EPHX1 (0.46) POLBNR3C2KMT2AMAPK8CTSB

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
WO-2023102507-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-08 WO disclosed
WO-2023004240-A1 MACROCYLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-26 WO disclosed