SCHEMBL11261512

SCHEMBL11261512

Cc1cc(OCC#N)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.54
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 4/20 0.49
GAA P10253 3/20 0.49
KDM4E B2RXH2 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH2 P05091 1/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 2/20 0.48
PKM P14618 1/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 2/20 0.43
GPR84 Q9NQS5 1/20 0.43

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
SCHEMBL15985675 0.86 ALDH1A1 (0.49) MCL1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL6819751 0.83 GRM5 (0.47) KMT2ASMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL30752524 0.83 GRM5 (0.47) KMT2ASMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL18560985 0.83 L3MBTL1 (0.53) KMT2ASMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL11234694 0.79 MCL1 (0.51) MCL1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL17223747 0.77 ALDH1A1 (0.48) KMT2ASMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL254817 0.77 MCL1 (0.61) MCL1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL11253285 0.76 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1GAAKDM4EL3MBTL1
SCHEMBL21719084 0.76 ALDH1A1 (0.47) MCL1SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL11541935 0.76 ALDH1A1 (0.47) KMT2ASMN1; SMN2ALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4343809-A ANTIANEMIA THE DOW CHEMICAL COMPANY (US) 1982-08-10 US disclosed