SCHEMBL6526403

SCHEMBL6526403

COC[CH]c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 3/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
GLA P06280 2/20 0.43
GAA P10253 2/20 0.43
PKM P14618 2/20 0.43
RAB9A P51151 2/20 0.43
ALPL P05186 1/20 0.43
ALPG P10696 1/20 0.43
HTT P42858 1/20 0.43
HRH4 Q9H3N8 4/20 0.40
HTR3A P46098 2/20 0.40
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36

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 0.79 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4EMEN1MAPT
SCHEMBL6525820 0.78 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KDM4EMEN1MAPT
SCHEMBL6525786 0.77 TDP1 (0.43) SMN1; SMN2ALDH1A1KDM4EMEN1MAPT
SCHEMBL1536850 0.76 LMNA (0.48) SMN1; SMN2ALDH1A1KDM4EMEN1MAPT
SCHEMBL6525905 0.75 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KDM4EMEN1MAPT
SCHEMBL7508677 0.70 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1KDM4EMEN1MAPT
SCHEMBL2884818 0.70 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1KDM4EMEN1MAPT
SCHEMBL4751259 0.70 RAB9A (0.53) SMN1; SMN2ALDH1A1KDM4EHPGDNPC1
SCHEMBL1479674 0.70 TAAR1 (0.43) KDM4ERAB9AHRH4
SCHEMBL583539 0.70 TAAR1 (0.43) KDM4ERAB9AHRH4

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