SCHEMBL8441649

SCHEMBL8441649

COc1ccc(C2=C(OC(C)=O)C(=O)N(CCN(C)C)c3ccccc3S2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ CACNA1S Q13698 4/20 0.53
▸ CYP3A4 P08684 3/20 0.53
▸ TSHR P16473 2/20 0.53
▸ ABCB11 O95342 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ KCNH2 Q12809 2/20 0.53
▸ SLC22A1 O15245 1/20 0.53
▸ CACNA1F O60840 1/20 0.53
▸ ABCB1 P08183 1/20 0.53
▸ HRH2 P25021 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ SCN1A P35498 1/20 0.53
▸ SCN4A P35499 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ SCN7A Q01118 1/20 0.53
▸ CACNA1D Q01668 1/20 0.53
▸ PLAUR Q03405 1/20 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
Hydrochloric Acid SCHEMBL11369212 0.99 KDM4E (0.55) KDM4ETP53MAPK1CACNA1SCYP3A4
Hydrochloric Acid SCHEMBL7768556 0.80 TP53 (0.44) KDM4ETP53MAPK1CACNA1SCYP3A4
SCHEMBL10930809 0.79 TP53 (0.46) KDM4ETP53MAPK1CACNA1SCYP3A4
Hydrochloric Acid SCHEMBL11369211 0.78 BCHE (0.42) —
SCHEMBL10824788 0.77 ITGB2 (0.46) KDM4ETP53MAPK1CACNA1SCYP3A4
SCHEMBL10803512 0.76 MAPK1 (0.55) KDM4ETP53MAPK1CACNA1SCYP3A4
SCHEMBL10803507 0.76 MAPK1 (0.55) KDM4ETP53MAPK1CACNA1SCYP3A4
SCHEMBL7377505 0.75 KDM4E (0.46) KDM4ETP53MAPK1CACNA1SCYP3A4
SCHEMBL11820176 0.73 KDM1A (0.59) KDM4ETP53MAPK1CACNA1SCYP3A4
SCHEMBL11468421 0.72 KDM1A (0.58) KDM4ETP53MAPK1CACNA1SCYP3A4

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
JP-59106477-A — — None — — JP disclosed
EP-0662321-B1 Method for producing osmosis-controlled tablets avoiding the use of chlorinated hydrocarbons EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1999-10-20 — — EP disclosed
EP-0662321-A1 Method for producing osmosis-controlled tablets avoiding the use of chlorinated hydrocarbons EGIS GYOGYSZERGYAR RT. (HU) 1995-07-12 — — EP disclosed
EP-0292824-B1 PROCESS FOR THE NUCLEAR CHLORINATION OF AROMATIC HYDROCARBONS BAYER AG (DE) 1990-08-01 — — EP disclosed
US-4851596-A Process for nucleus-chlorination of aromatic hydrocarbons BAYER AKTIENGESELLSCHAFT (DE) 1989-07-25 — — US disclosed
EP-0292824-A1 Process for the nuclear chlorination of aromatic hydrocarbons BAYER AG (DE) 1988-11-30 — — EP disclosed
JP-S59106477-A NOVEL 1,5-BENZOTHIAZEPIN DERIVATIVE AND ITS PREPARATION HAMARI YAKUHIN KOGYO KK 1984-06-20 — — JP disclosed
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