SCHEMBL25866775

SCHEMBL25866775

COC(=O)C(C)(C)c1c[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.54
CREBBP Q92793 1/20 0.54
ALOX5 P09917 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.46
PBRM1 Q86U86 1/20 0.46
CFTR P13569 1/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GPR84 Q9NQS5 2/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 2/20 0.44
PDE1C Q14123 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL6286136 0.86 NR4A2 (0.53) NR4A2CREBBPALOX5SLC22A6PBRM1
SCHEMBL8131871 0.85 NR4A2 (0.51) NR4A2CREBBPALOX5SLC22A6PBRM1
SCHEMBL25139960 0.82 PBRM1 (0.54) NR4A2CREBBPSLC22A6PBRM1CFTR
SCHEMBL24774358 0.80 TACR1 (0.46) ALDH1A1SMN1; SMN2MAPTTP53NPSR1
SCHEMBL3227223 0.80 SPR (0.47) GPR84KDM4E
SCHEMBL9577474 0.79 PBRM1 (0.47) NR4A2CREBBPSLC22A6PBRM1CFTR
SCHEMBL25139491 0.78 KDM4E (0.49) NR4A2CREBBPSLC22A6PBRM1CFTR
SCHEMBL6288439 0.76 KMT2A (0.48) NR4A2CREBBPALOX5SLC22A6PBRM1
SCHEMBL17866728 0.76 PBRM1 (0.50) NR4A2CREBBPSLC22A6PBRM1CFTR
SCHEMBL17866727 0.76 PBRM1 (0.54) NR4A2CREBBPSLC22A6PBRM1CFTR

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
WO-2023134608-A1 FUSED RING COMPOUNDS SERVING AS HPK1 INHIBITORS 微境生物医药科技(上海)有限公司 2023-07-20 WO disclosed
CN-102146081-B Indoleacetic acid derivatives and preparation method and application thereof UNIV CAPITAL MEDICAL 2012-08-22 CN disclosed
CN-102146081-A Indoleacetic acid derivatives and preparation method and application thereof UNIV CAPITAL MEDICAL 2011-08-10 CN disclosed