SCHEMBL11689166

SCHEMBL11689166

COc1cc(NC(=O)c2ccccc2Cl)c(Cl)cc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.59
▸ HDAC8 Q9BY41 1/20 0.59
▸ HDAC6 Q9UBN7 1/20 0.59
▸ KMT2A Q03164 5/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ RAB9A P51151 5/20 0.56
▸ NPC1 O15118 6/20 0.54
▸ POLB P06746 3/20 0.54
▸ CASP3 P42574 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ SENP8 Q96LD8 1/20 0.54
▸ SENP7 Q9BQF6 1/20 0.54
▸ SENP6 Q9GZR1 1/20 0.54
▸ GRM4 Q14833 4/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ MAPT P10636 4/20 0.53
▸ MEN1 O00255 3/20 0.53

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
SCHEMBL11307445 0.92 KDM4E (0.60) KMT2AALDH1A1KDM4ERAB9ANPC1
SCHEMBL11306224 0.92 HDAC1 (0.62) HDAC1HDAC8HDAC6KMT2AALDH1A1
SCHEMBL11692577 0.90 HDAC1 (0.57) HDAC1HDAC8HDAC6KMT2AALDH1A1
SCHEMBL11320747 0.90 ALDH1A1 (0.64) KMT2AALDH1A1KDM4ERAB9ANPC1
SCHEMBL11692163 0.86 PYGL (0.61) HDAC1HDAC8HDAC6KMT2AALDH1A1
SCHEMBL11691486 0.85 MEN1 (0.60) HDAC1HDAC8HDAC6KMT2AALDH1A1
SCHEMBL11310042 0.85 RORC (0.55) HDAC1HDAC8HDAC6KMT2AALDH1A1
SCHEMBL29886209 0.84 ALDH1A1 (0.65) HDAC1HDAC8HDAC6KMT2AALDH1A1
SCHEMBL16592667 0.84 ALDH1A1 (0.65) HDAC1HDAC8HDAC6KMT2AALDH1A1
SCHEMBL11689895 0.82 GAA (0.53) KMT2AALDH1A1POLBHPGDMAPT

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
US-4062838-A LACQUERS, PRINTING INKS, YELLOW TO ORANGE CIBA-GEIGY CORPORATION (US) 1977-12-13 — — US disclosed
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