SCHEMBL7599731

SCHEMBL7599731

O=C(NCCc1ccc(Br)cc1)N(S)c1cc[c]cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
PLAAT3 P53816 2/20 0.41
PLAAT5 Q96KN8 2/20 0.41
PLAAT2 Q9NWW9 2/20 0.41
PLAAT4 Q9UL19 2/20 0.41
FPR2 P25090 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
POLB P06746 3/20 0.38
GRK2 P25098 2/20 0.38
CTDSP1 Q9GZU7 2/20 0.38
KMT2A Q03164 1/20 0.38
LIG1 P18858 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
GPR35 Q9HC97 1/20 0.38
MGLL Q99685 1/20 0.37
NLRP3 Q96P20 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7594776 0.86 HPGD (0.46) CNR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7872178 0.85 CNR1 (0.46) CNR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7866856 0.83 PLAAT3 (0.46) CNR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7588977 0.83 SMN1; SMN2 (0.55) CNR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7585619 0.82 SMN1; SMN2 (0.48) CNR1TAAR1KMT2ARAB9ANPC1
SCHEMBL6814668 0.82 ST14 (0.42) CNR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7783082 0.78 CA12 (0.55) KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7589548 0.77 HDAC3 (0.36) CNR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7585551 0.77 CNR1 (0.46) CNR1TAAR1POLBNLRP3ALDH1A1
SCHEMBL7673079 0.77 ALDH1A1 (0.51) CNR1PLAAT3PLAAT5PLAAT2PLAAT4

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