SCHEMBL30002485

SCHEMBL30002485

C[C@H](Nc1nsc2ccccc12)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 9/20 0.51
LMNA P02545 4/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 4/20 0.42
RXFP1 Q9HBX9 1/20 0.42
EPHX2 P34913 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL16095195 1.00 EPAS1 (0.51) EPAS1LMNAUSP2ALDH1A1HSD17B10
SCHEMBL16095196 1.00 EPAS1 (0.51) EPAS1LMNAUSP2ALDH1A1HSD17B10
SCHEMBL7085874 0.87 EPAS1 (0.46) EPAS1LMNAALDH1A1HSD17B10TP53
SCHEMBL28614372 0.78 EPAS1 (0.54) EPAS1LMNATP53RXFP1MAPT
SCHEMBL29871021 0.78 EPAS1 (0.54) EPAS1LMNATP53RXFP1MAPT
SCHEMBL5372372 0.78 EPAS1 (0.48) EPAS1LMNAALDH1A1TP53EPHX2
SCHEMBL19728699 0.77 EPAS1 (0.49) EPAS1LMNAALDH1A1TP53RXFP1
SCHEMBL14484081 0.74 EPAS1 (0.53) EPAS1ALDH1A1HSD17B10TP53EPHX2
SCHEMBL28249865 0.73 POLB (0.49) EPAS1LMNAALDH1A1HSD17B10TP53
SCHEMBL11554511 0.73 EPAS1 (0.56) EPAS1LMNAALDH1A1HSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4419540-A1 IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2024-08-28 EP disclosed
EP-4314012-A1 IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2024-02-07 EP disclosed
WO-2023069994-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-04-27 WO disclosed
WO-2022204412-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-09-29 WO disclosed