SCHEMBL11295147

SCHEMBL11295147

CN(C)CCSc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
SERPINE1 P05121 1/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
HTR7 P34969 2/20 0.48
HTR1A P08908 1/20 0.48
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SLC6A4 P31645 1/20 0.45
SRD5A2 P31213 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ELANE P08246 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5070274 0.85 THRA (0.52) RAB9ASERPINE1THRATHRBHTR7
SCHEMBL11353930 0.84 HPGD (0.51) HPGDRAB9ANPC1ALDH1A1CYP1A2
SCHEMBL11306067 0.84 ALDH1A1 (0.58) HPGDRAB9ANPC1ALDH1A1CYP1A2
SCHEMBL6057646 0.83 THRB (0.58) HPGDRAB9ATHRATHRBALDH1A1
Hydrochloric Acid SCHEMBL6057774 0.82 THRB (0.57) HPGDRAB9ATHRATHRBALDH1A1
SCHEMBL14722186 0.81 GAA (0.46) HPGDRAB9ANPC1ALDH1A1CYP1A2
SCHEMBL2151716 0.81 GCGR (0.45) THRATHRBSLC6A4
SCHEMBL5174350 0.80 ALDH1A1 (0.61) SERPINE1HTR7HTR1AALDH1A1SLC6A4
SCHEMBL51274 0.80 GAA (0.54) HPGDRAB9ANPC1ALDH1A1CYP1A2
SCHEMBL11306459 0.79 ALDH1A1 (0.50) HPGDRAB9ANPC1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0005530-B1 NEW MERCAPTOPHENYLKETONES AND THEIR USE AS INITIATORS FOR THE PHOTOPOLYMERISATION OF ETHYLENICALLY UNSATURATED COMPOUNDS CIBA-GEIGY AG (CH) 1982-05-12 EP disclosed
US-4297513-A Process for the preparation of benzophenone thioethers CIBA-GEIGY CORPORATION (US) 1981-10-27 US disclosed
US-4279721-A Mercaptophenyl ketones as initiators for the photopolymerization of ethylenically unsaturated compounds CIBA-GEIGY CORPORATION (US) 1981-07-21 US disclosed
EP-0005530-A1 New mercaptophenylketones and their use as initiators for the photopolymerisation of ethylenically unsaturated compounds CIBA-GEIGY AG (CH) 1979-11-28 EP disclosed