SCHEMBL7214919

SCHEMBL7214919

COc1cc2cc(C(=O)O)c(N)cc2cc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.58
SRD5A2 P31213 2/20 0.58
CTSV O60911 3/20 0.56
CTSL P07711 3/20 0.56
HPGD P15428 2/20 0.51
IDO1 P14902 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MRGPRX4 Q96LA9 2/20 0.49
SMPD1 P17405 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
RXRA P19793 1/20 0.49
FOLH1 Q04609 1/20 0.47
PDGFRB P09619 1/20 0.45
PDGFRA P16234 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
SCHEMBL3138320 0.91 CTSV (0.57) SRD5A1SRD5A2CTSVCTSLHPGD
SCHEMBL4728946 0.91 CTSV (0.57) SRD5A1SRD5A2CTSVCTSLHPGD
SCHEMBL4982256 0.86 SRD5A1 (0.49) SRD5A1SRD5A2CTSVCTSLHPGD
SCHEMBL28017860 0.82 SRD5A1 (0.58) SRD5A1SRD5A2CTSVCTSLHPGD
SCHEMBL28102561 0.82 SRD5A1 (0.58) SRD5A1SRD5A2CTSVCTSLHPGD
SCHEMBL28018441 0.82 SRD5A1 (0.58) SRD5A1SRD5A2CTSVCTSLHPGD
SCHEMBL159448 0.82 HTT (0.55) SRD5A1SRD5A2CTSVCTSLHPGD
SCHEMBL874091 0.82 HTT (0.55) SRD5A1SRD5A2CTSVCTSLHPGD
SCHEMBL4469125 0.82 SMN1; SMN2 (0.52) SRD5A1SRD5A2CTSVCTSLHPGD
SCHEMBL340527 0.82 SMN1; SMN2 (0.52) SRD5A1SRD5A2CTSVCTSLHPGD

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
EP-1345889-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO G]QUINOLINE-3-CARBONITRILES AND BENZO G]QUINAZOLINES Wyeth (US) 2003-09-24 EP disclosed
WO-2002053528-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO[G]QUINOLINE-3-CARBONITRILES AND BENZO[G]QUINAZOLINES WYETH (US) 2002-07-11 WO disclosed