SCHEMBL19710337

SCHEMBL19710337

O=C(CNC(=O)Cc1cccc(O)c1O)NO

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IAPP P10997 4/20 0.42
▸ MEP1B Q16820 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ ALOX5 P09917 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ ERCC1 P07992 1/20 0.38
▸ ERCC4 Q92889 1/20 0.38

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
SCHEMBL11054517 0.88 IAPP (0.49) IAPPMEP1BKMT2AAKR1B1
SCHEMBL19692985 0.87 ERCC1 (0.44) HDAC3HDAC1HDAC2NCOR2ERCC1
SCHEMBL19304783 0.85 AKR1B1 (0.47) IAPPKMT2AALOX5AKR1B1PIM1
SCHEMBL25438214 0.79 HDAC3 (0.40) KMT2AHDAC3HDAC1HDAC2NCOR2
SCHEMBL31632682 0.79 HDAC3 (0.40) KMT2AHDAC3HDAC1HDAC2NCOR2
SCHEMBL24277139 0.79 MEP1B (0.41) MEP1BKMT2AHDAC3HDAC1HDAC2
SCHEMBL24277635 0.75 TRPV1 (0.43) MEP1BKMT2AHDAC3HDAC1HDAC2
SCHEMBL29521027 0.75 TRPV1 (0.43) MEP1BKMT2AHDAC3HDAC1HDAC2
SCHEMBL27682022 0.74 HDAC2 (0.46) MEP1BHDAC3HDAC1HDAC2NCOR2
SCHEMBL25410737 0.74 TRPV1 (0.40) KMT2AHDAC3HDAC1HDAC2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019040647-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER CEDARS-SINAI MEDICAL CENTER (US) 2019-02-28 — — WO disclosed
WO-2017213897-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER CEDARS-SINAI MEDICAL CENTER (US) 2017-12-14 — — WO disclosed
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