SCHEMBL8772947

SCHEMBL8772947

NC(=O)c1cccnc1C(=O)c1cc(Cl)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 4/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDR P35968 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
KDM4E B2RXH2 4/20 0.44
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 4/20 0.42
PKM P14618 2/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PARP1 P09874 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.40
SPR P35270 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL8709935 0.80 RAB9A (0.40) KCNMA1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL8709931 0.80 RAB9A (0.40) KCNMA1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL8715621 0.80 ERN1 (0.47) KCNMA1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL8713136 0.78 MEN1 (0.48) KCNMA1ALDH1A1HPGDSMN1; SMN2KDR
SCHEMBL8712961 0.78 RAB9A (0.43) KCNMA1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL8712965 0.78 RAB9A (0.43) KCNMA1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL29848306 0.77 CA1 (0.67) KCNMA1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL552216 0.77 CA1 (0.67) KCNMA1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL7821603 0.73 KDM4E (0.54) ALDH1A1RAB9ASMN1; SMN2CA1CA2
SCHEMBL773980 0.73 PARP1 (0.58) ALDH1A1HPGDRAB9ASMN1; SMN2KDM4E

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-0623597-B1 Pyridine derivatives, with potassium channel opening activity TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-10-22 EP disclosed
EP-0623597-A1 Pyridine derivatives, with potassium channel opening activity Takeda Chemical Industries, Ltd. (JP) 1994-11-09 EP disclosed