SCHEMBL9504353

SCHEMBL9504353

CC(=O)Nc1cccc(OCN)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
NPC1 O15118 2/20 0.65
AHR P35869 1/20 0.60
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
LMNA P02545 1/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
NR4A1 P22736 1/20 0.53

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
SCHEMBL19732837 0.88 BRAF (0.64) RAB9ASMN1; SMN2NPC1AHRMEN1
SCHEMBL11546092 0.87 SMN1; SMN2 (0.68) RAB9ASMN1; SMN2NPC1AHRMEN1
SCHEMBL2000945 0.86 KMT2A (0.63) RAB9ASMN1; SMN2NPC1AHRMEN1
SCHEMBL10264545 0.85 SMN1; SMN2 (0.67) RAB9ASMN1; SMN2NPC1AHRMEN1
SCHEMBL13978380 0.85 RAB9A (0.67) RAB9ASMN1; SMN2NPC1AHRMEN1
SCHEMBL4727210 0.84 KMT2A (0.67) RAB9ASMN1; SMN2NPC1AHRMEN1
SCHEMBL10755249 0.84 NPC1 (0.74) RAB9ASMN1; SMN2NPC1AHRMEN1
SCHEMBL3951459 0.83 NPC1 (0.76) RAB9ASMN1; SMN2NPC1AHRMEN1
SCHEMBL9969534 0.83 SMN1; SMN2 (0.63) RAB9ASMN1; SMN2NPC1AHRMEN1
SCHEMBL38660069 0.83 SMN1; SMN2 (0.63) RAB9ASMN1; SMN2NPC1AHRMEN1

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-0328968-B1 PROCESS FOR THE PREPARATION OF 4-ACYLAMINO-2-AMINO ALKOXY BENZENES HOECHST AKTIENGESELLSCHAFT (DE) 1993-05-12 EP disclosed
US-5047586-A Process for the preparation of 4-acylamino-2-aminoalkoxybenzenes HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-10 US disclosed
EP-0328968-A2 Process for the preparation of 4-acylamino-2-amino alkoxy benzenes HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 EP disclosed