SCHEMBL11544341

SCHEMBL11544341

CNC(=O)Nc1c(Cl)cc(C(C)=O)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 5/20 0.40
MAPT P10636 5/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
HTT P42858 2/20 0.40
NLRP1 Q9C000 1/20 0.40
RECQL P46063 1/20 0.38
CA5A P35218 1/20 0.38
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
TYK2 P29597 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL11428878 0.82 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11429507 0.81 HTT (0.50) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11543525 0.81 JAK2 (0.39) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL10617304 0.80 CA5A (0.43) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11546286 0.80 GSK3B (0.41) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11547021 0.79 CA5A (0.39) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL19908696 0.79 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11545759 0.79 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11431400 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11546292 0.78 KMT2A (0.64) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1

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
US-4145363-A ANTIASTHMATICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1979-03-20 US disclosed
US-4063025-A PROPHYLAXIS, ANTIASTHMATIC YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1977-12-13 US disclosed