SCHEMBL7588977

SCHEMBL7588977

COc1ccc(CCNC(=O)N(S)c2cc[c]cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
GLA P06280 1/20 0.50
KMT2A Q03164 1/20 0.50
TAAR1 Q96RJ0 2/20 0.48
ALDH1A1 P00352 1/20 0.48
FPR2 P25090 2/20 0.47
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46
PTPN1 P18031 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
CNR1 P21554 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
SCHEMBL7588694 0.86 RAB9A (0.51) SMN1; SMN2ALDH1A1RAB9ACNR1
SCHEMBL7783082 0.84 CA12 (0.55) SMN1; SMN2KMT2AALDH1A1GAA
SCHEMBL7599731 0.83 CNR1 (0.42) SMN1; SMN2KMT2ATAAR1ALDH1A1FPR2
SCHEMBL7594776 0.83 HPGD (0.46) SMN1; SMN2KMT2ATAAR1ALDH1A1PLAAT3
SCHEMBL7645916 0.83 SMN1; SMN2 (0.52) SMN1; SMN2GLAKMT2ATAAR1ALDH1A1
SCHEMBL7866856 0.80 PLAAT3 (0.46) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7585619 0.79 SMN1; SMN2 (0.48) SMN1; SMN2KMT2ATAAR1ALDH1A1NPC1
SCHEMBL7860613 0.78 MTNR1A (0.56) SMN1; SMN2KMT2ATAAR1ALDH1A1NPC1
SCHEMBL7598233 0.76 FPR2 (0.61) SMN1; SMN2KMT2AALDH1A1FPR2NPC1
SCHEMBL5186182 0.75 RAB9A (0.64) SMN1; SMN2KMT2AALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144399-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144399-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed