SCHEMBL7599729

SCHEMBL7599729

S=C(NCCc1ccc(Br)cc1)NC1=CC[CH]C=C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
LTC4S Q16873 1/20 0.45
ALOX12 P18054 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MGLL Q99685 1/20 0.41
NPC1 O15118 4/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL7594773 0.87 MAPT (0.52) RAB9AMAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL7905411 0.80 KMT2A (0.58) RAB9AMAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL7904722 0.79 MAPT (0.63) MAPTSMN1; SMN2MEN1KMT2AALOX12
SCHEMBL7641142 0.78 NPC1 (0.58) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7642827 0.78 ALDH1A1 (0.53) RAB9AMAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL7661828 0.77 TACR1 (0.39) RAB9AMAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL7915018 0.76 LMNA (0.48) RAB9AMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL7637941 0.76 GAA (0.48) MAPTSMN1; SMN2MEN1KMT2AALOX12
SCHEMBL7661945 0.73 HTT (0.38) RAB9AMAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL7981937 0.73 MAOA (0.54) RAB9AMAPTSMN1; SMN2MEN1KMT2A

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