SCHEMBL31457779

SCHEMBL31457779

COc1c(Br)ccc2[nH]c(=O)oc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.38
NOS1 P29475 3/20 0.38
NOS2 P35228 2/20 0.37
AR P10275 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OGT O15294 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA13 Q8N1Q1 2/20 0.34
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
HPGD P15428 2/20 0.34

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
SCHEMBL913059 0.81 KDM4E (0.49) CREBBPNOS1NOS2ALDH1A1CA12
SCHEMBL29919980 0.81 AR (0.41) CREBBPNOS1NOS2ARSMN1; SMN2
SCHEMBL3985564 0.81 AR (0.41) CREBBPNOS1NOS2ARSMN1; SMN2
SCHEMBL12593747 0.80 CREBBP (0.38) CREBBPNOS1NOS2ARSMN1; SMN2
SCHEMBL31443946 0.80 CREBBP (0.38) CREBBPNOS1NOS2ARSMN1; SMN2
SCHEMBL12593753 0.80 KMO (0.40) CREBBPNOS1NOS2ARSMN1; SMN2
SCHEMBL19406050 0.77 NOS1 (0.44) CREBBPNOS1NOS2OGTHPGD
SCHEMBL13681602 0.77 OGT (0.39) CREBBPNOS1NOS2OGTALDH1A1
SCHEMBL12903990 0.76 CREBBP (0.38) CREBBPNOS1NOS2ARSMN1; SMN2
SCHEMBL19405967 0.74 OGT (0.37) CREBBPNOS1NOS2OGTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4524139-A1 IMIDAZOPYRIDAZINE SUBSTITUTED BENZENE RING DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2025-03-19 EP disclosed