SCHEMBL30035019

SCHEMBL30035019

COc1cnc2sc(Nc3ccc(I)cc3F)c(C(=O)O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.49
MAP2K2 P36507 9/20 0.49
FLT1 P17948 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
IDO1 P14902 1/20 0.40
SHMT2 P34897 1/20 0.37

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
SCHEMBL20564882 1.00 MAP2K1 (0.49) MAP2K1MAP2K2FLT1HDAC3HDAC1
SCHEMBL24350597 0.89 DHODH (0.46) MAP2K1MAP2K2SHMT2
SCHEMBL29536268 0.88 MAP2K1 (0.41) MAP2K1MAP2K2FLT1HDAC3HDAC1
SCHEMBL28410513 0.88 MAP2K1 (0.41) MAP2K1MAP2K2FLT1HDAC3HDAC1
SCHEMBL20565321 0.86 MAP2K1 (0.51) MAP2K1MAP2K2HDAC3HDAC1HDAC6
SCHEMBL30035390 0.86 MAP2K1 (0.51) MAP2K1MAP2K2HDAC3HDAC1HDAC6
SCHEMBL30034176 0.85 MAP2K1 (0.56) MAP2K1MAP2K2
SCHEMBL20565325 0.85 MAP2K1 (0.56) MAP2K1MAP2K2
SCHEMBL20565259 0.81 MAP2K1 (0.48) MAP2K1MAP2K2FLT1HDAC3HDAC1
SCHEMBL30035345 0.81 MAP2K1 (0.48) MAP2K1MAP2K2FLT1HDAC3HDAC1

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
CN-119215031-A Arylaniline and heteroaryl aniline compounds for the treatment of skin cancer 恩福莱克逊治疗有限公司 2024-12-31 CN disclosed
CN-113645964-B Arylaniline and heteroaryl aniline compounds for fetal treatment 恩福莱克逊治疗有限公司 2024-10-11 CN disclosed
CN-113660931-B Arylaniline and heteroaryl aniline compounds for the treatment of skin cancer 恩福莱克逊治疗有限公司 2024-10-11 CN disclosed
CN-111093658-B Fused heteroaromatic-aniline compounds for the treatment of skin diseases 恩福莱克逊治疗有限公司 2022-10-14 CN disclosed