SCHEMBL6525905

SCHEMBL6525905

CC(C)[CH]c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 3/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 3/20 0.44
RAB9A P51151 3/20 0.44
GLA P06280 2/20 0.44
PKM P14618 2/20 0.44
HTT P42858 2/20 0.44
ALPL P05186 1/20 0.44
ALPG P10696 1/20 0.44
HRH4 Q9H3N8 4/20 0.42
HTR3A P46098 2/20 0.42
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38

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
SCHEMBL6528307 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL1536850 0.78 LMNA (0.48) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL6526403 0.75 SMN1; SMN2 (0.43) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL4111356 0.75 HSD17B10 (0.57) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL10749803 0.73 KDM4E (0.44) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL1479636 0.72 LMNA (0.42) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL5104456 0.72 LMNA (0.42) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL580393 0.72 LMNA (0.42) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL2884818 0.72 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL1192946 0.71 F7 (0.47) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP disclosed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 WO disclosed