SCHEMBL8954822

SCHEMBL8954822

NC(c1ccccc1)c1ccc2[nH]c(NC(=O)O)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
NPC1 O15118 9/20 0.47
RAB9A P51151 9/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
HTT P42858 1/20 0.47
PKM P14618 2/20 0.46
MAOB P27338 1/20 0.46
ADORA2A P29274 1/20 0.46
LMNA P02545 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
XIAP P98170 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SCD O00767 2/20 0.42
OPRK1 P41145 1/20 0.42
KLF5 Q13887 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL8954579 0.90 NPC1 (0.46) CYP3A4NPC1RAB9ASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL9399211 0.89 NPC1 (0.45) CYP3A4NPC1RAB9ASMN1; SMN2HTT
SCHEMBL5062626 0.86 NPC1 (0.48) CYP3A4NPC1RAB9ASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL8954596 0.85 NPC1 (0.47) CYP3A4NPC1RAB9ASMN1; SMN2HTT
SCHEMBL9398591 0.81 TUBB4A (0.51) CYP3A4NPC1RAB9ASMN1; SMN2HTT
SCHEMBL8954504 0.77 KDR (0.57) CYP3A4NPC1RAB9ASMN1; SMN2HTT
SCHEMBL29006649 0.77 ABL1 (0.56) CYP3A4NPC1RAB9ASMN1; SMN2PKM
SCHEMBL10477431 0.76 CYP26A1 (0.62) CYP3A4MEN1KMT2AALDH1A1MAPK1
SCHEMBL18269217 0.76 LMNA (0.60) CYP3A4NPC1RAB9ASMN1; SMN2HTT
SCHEMBL8954556 0.76 CHEK2 (0.37) CYP3A4NPC1RAB9ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639974-A4 SOLUBLE ALKYL 5- AMINO(PHENYL)METHYL]-1H-BENZIMIDAZOL-2-YL]CARBAMATE ANTHELMINTICS. UNIV MICHIGAN (US) 1996-07-24 EP disclosed
EP-0639974-A1 SOLUBLE ALKYL 5- AMINO(PHENYL)METHYL]-1H-BENZIMIDAZOL-2-YL]CARBAMATE ANTHELMINTICS THE BOARD OF REGENTS ACTING FOR AND ON BEHALF OF THE UNIVERSITY OF MICHIGAN (US) 1995-03-01 EP disclosed
US-5278181-A Parasiticides BOARD OF REGENTS ACTING ON BEHALF OF THE UNIVERSITY OF MICHIGAN (US) 1994-01-11 US disclosed
WO-1993023037-A1 SOLUBLE ALKYL [5-[AMINO(PHENYL)METHYL]-1H-BENZIMIDAZOL-2-YL]CARBAMATE ANTHELMINTICS THE BOARD OF REGENTS ACTING FOR AND ON BEHALF OF THE UNIVERSITY OF MICHIGAN (US) 1993-11-25 WO disclosed