SCHEMBL28392004

SCHEMBL28392004

Cc1ccc(CC(N)(C(=O)O)C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.43
HIF1A Q16665 1/20 0.43
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
EGFR P00533 1/20 0.42
CYP1A2 P05177 1/20 0.42
FYN P06241 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42
ADRA1A P35348 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
SCHEMBL20293630 0.85 SMN1; SMN2 (0.60) BLMSMN1; SMN2HIF1AHPGDKMT2A
SCHEMBL15218062 0.81 BLM (0.73) BLMSMN1; SMN2HIF1AHPGDKMT2A
SCHEMBL14547348 0.81 BLM (0.73) BLMSMN1; SMN2HIF1AHPGDKMT2A
SCHEMBL21303540 0.78 HSD17B10 (0.71) BLMSMN1; SMN2HIF1AHPGDKMT2A
SCHEMBL4457891 0.77 BLM (0.47) BLMSMN1; SMN2HPGDKMT2ATDP1
SCHEMBL13205216 0.76 BLM (0.47) BLMSMN1; SMN2HIF1AHPGDKMT2A
SCHEMBL27880060 0.75 BLM (0.46) BLMSMN1; SMN2HIF1AHPGDKMT2A
SCHEMBL15314315 0.75 ALDH1A1 (0.46) BLMSMN1; SMN2HIF1AHPGDKMT2A
SCHEMBL12659218 0.74 BLM (0.53) BLMSMN1; SMN2HIF1AHPGDKMT2A
SCHEMBL7716562 0.74 BLM (0.44) BLMSMN1; SMN2HIF1AHPGDKMT2A

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
CN-111150851-A Ligand-cytotoxic drug conjugate, preparation method and application thereof 江苏恒瑞医药股份有限公司 2020-05-15 CN disclosed