SCHEMBL9273675

SCHEMBL9273675

Nc1ncc(Cl)cc1C(=O)O.O=C(O)c1cc(Cl)cn2ccnc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.45
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NUDT1 P36639 1/20 0.35
CYP3A4 P08684 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
MAP4K4 O95819 4/20 0.34
CFD P00746 1/20 0.32
EPHB4 P54760 1/20 0.32
DHODH Q02127 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
STING1 Q86WV6 1/20 0.31

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
SCHEMBL4703891 0.88 HTR3A (0.53) HTR3AXDHSLC22A12KDM4ERAB9A
SCHEMBL9273678 0.85 HTR3A (0.43) HTR3AXDHSLC22A12NUDT1CYP3A4
SCHEMBL1319218 0.80 CYP3A4 (0.50) KDM4ERAB9AMAPTNPC1ALDH1A1
Hydrochloric Acid SCHEMBL11549048 0.79 CYP3A4 (0.48) KDM4ERAB9AMAPTNPC1ALDH1A1
SCHEMBL915037 0.79 CYP3A4 (0.48) KDM4ERAB9AMAPTNPC1ALDH1A1
SCHEMBL14006669 0.70 NUDT1 (0.47) HTR3AALDH1A1SMN1; SMN2NUDT1CYP3A4
SCHEMBL23012585 0.70 L3MBTL1 (0.44) HTR3AXDHSLC22A12KDM4EALDH1A1
SCHEMBL12238197 0.70 L3MBTL1 (0.56) HTR3AXDHSLC22A12KDM4EALDH1A1
SCHEMBL15896720 0.70 XDH (0.42) HTR3AXDHSLC22A12KDM4ECYP3A4
SCHEMBL28020112 0.70 XDH (0.42) HTR3AXDHSLC22A12KDM4ENUDT1

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
EP-0664808-A1 IMIDAZOPYRIDINE DERIVATIVES AS 5-HT 4? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-08-02 EP disclosed