SCHEMBL9179529

SCHEMBL9179529

CCCCc1cc(CCCC)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ TLR8 Q9NR97 3/20 0.51
▸ PARP1 P09874 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ DHODH Q02127 1/20 0.47
▸ CYP3A4 P08684 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ ABCB11 O95342 1/20 0.45

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
SCHEMBL8673292 0.92 KDM4E (0.55) MEN1KMT2AKDM4ETLR8PARP1
SCHEMBL9187156 0.86 KDM4E (0.64) MEN1KMT2AKDM4ETLR8PARP1
SCHEMBL8671753 0.85 CYP1A2 (0.53) MEN1KMT2AKDM4ETLR8PARP1
SCHEMBL8673320 0.83 KDM4E (0.54) MEN1KMT2AKDM4ETLR8PARP1
SCHEMBL27917367 0.83 DHODH (0.58) TLR8HPGDDHODHADORA3ADORA1
SCHEMBL28014894 0.83 NCF1 (0.53) MEN1KMT2AKDM4ETLR8PARP1
SCHEMBL7852029 0.83 MEN1 (0.51) MEN1KMT2AKDM4ETLR8PARP1
SCHEMBL8671748 0.83 MEN1 (0.51) MEN1KMT2AKDM4ETLR8PARP1
SCHEMBL8673322 0.83 KDM4E (0.54) MEN1KMT2AKDM4ETLR8PARP1
SCHEMBL16836343 0.81 TLR8 (0.58) KDM4ETLR8PARP1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5405843-A Anticancer drug potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-04-11 — — US disclosed
EP-0363212-B1 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS (JP) 1995-01-04 — — EP disclosed
US-5204348-A Quinoline derivatives MITSUI TOATSU CHEMICALS INC. (JP) 1993-04-20 — — US disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 — — US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 — — EP disclosed
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