SCHEMBL10746293

SCHEMBL10746293

COc1ccc2cccc3c2c1C(=O)C=C3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.51
MAPT P10636 5/20 0.43
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 3/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
USP2 O75604 1/20 0.40
DUSP3 P51452 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2A6 P11509 1/20 0.38
HTT P42858 2/20 0.37
S1PR4 O95977 1/20 0.37
HSP90AA1 P07900 1/20 0.37
G6PD P11413 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
SCHEMBL18741352 0.83 ALOX5 (0.37) TOP1MAPTMEN1KMT2AALDH1A1
SCHEMBL18760372 0.83 CA1 (0.41) TOP1MAPTMEN1KMT2ACA1
SCHEMBL30166010 0.82 ADORA3 (0.44) TOP1MAPTMEN1KMT2AALDH1A1
SCHEMBL28929254 0.82 ADORA3 (0.44) TOP1MAPTMEN1KMT2AALDH1A1
SCHEMBL28928965 0.82 ADORA3 (0.44) TOP1MAPTMEN1KMT2AALDH1A1
SCHEMBL30174113 0.80 CES1 (0.33) TOP1CES1
SCHEMBL26972126 0.80 CES1 (0.33) TOP1CES1
SCHEMBL10743818 0.80 TDP1 (0.43) CA9TDP1TXNRD1TXNRD3TXNRD2
SCHEMBL28929022 0.80 CYP3A4 (0.44) TOP1MAPTALDH1A1RAB9AKDM4E
SCHEMBL8370836 0.78 ALDH1A1 (0.41) TOP1MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017064657-A1 FLUORESCENT ANTICANCER PLATINUM DRUGS INVICTUS ONCOLOGY PVT. LTD. (IN) 2017-04-20 WO disclosed
EP-0104388-B1 REVERSIBLE OXIDIZABLE OR REDUCIBLE POLYMERS WITH POLYENE UNITS, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF Aktiengesellschaft (DE) 1987-05-06 EP disclosed
EP-0069292-B1 POLYMERS WITH AT LEAST TWO STABLE AND REVERSIBLY INTERCHANGEABLE OXIDATION STEPS, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF Aktiengesellschaft (DE) 1985-05-15 EP disclosed
US-4468509-A FROM ACETYLENE DERIVATIVES OF 1,9--DISUBSTITUTED PHENALENE BASF AKTIENGESELLSCHAFT (DE) 1984-08-28 US disclosed
US-4464511-A ELECTROCONDUCTIVITY, ELECTROCHROMIC, ANTISTATIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 1984-08-07 US disclosed
EP-0104388-A2 Reversible oxidizable or reducible polymers with polyene units, process for their preparation and their use BASF Aktiengesellschaft (DE) 1984-04-04 EP disclosed
EP-0069292-A1 Polymers with at least two stable and reversibly interchangeable oxidation steps, process for their preparation and their use BASF Aktiengesellschaft (DE) 1983-01-12 EP disclosed