SCHEMBL9196874

SCHEMBL9196874

CCOc1ccc(NC(=O)c2cnc3ccccc3c2Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
RAB9A P51151 9/20 0.58
TP53 P04637 4/20 0.58
MAPT P10636 7/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
KDM4E B2RXH2 2/20 0.57
HTT P42858 2/20 0.57
LMNA P02545 2/20 0.57
MITF O75030 1/20 0.57
PKM P14618 1/20 0.57
NR3C1 P04150 1/20 0.57
MAPK1 P28482 2/20 0.55
POLB P06746 2/20 0.54
APOBEC3A P31941 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
GAA P10253 1/20 0.53

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
SCHEMBL9197678 0.88 CYP3A4 (0.57) NPC1MEN1KMT2ARAB9AMAPT
SCHEMBL11054487 0.87 NPC1 (0.62) NPC1MEN1KMT2ARAB9ATP53
SCHEMBL7314351 0.84 NR3C1 (0.60) HTTLMNANR3C1AHR
SCHEMBL9197736 0.84 USP2 (0.59) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6984531 0.80 MEN1 (0.53) NPC1MEN1KMT2ARAB9ATP53
SCHEMBL10648772 0.79 NPC1 (0.67) NPC1MEN1KMT2ARAB9ATP53
SCHEMBL6108475 0.77 NR3C1 (0.50) MEN1KMT2ASMN1; SMN2KDM4EPKM
SCHEMBL10960859 0.75 KMT2A (1.00) NPC1MEN1KMT2ARAB9ATP53
SCHEMBL5022887 0.75 NPC1 (0.65) NPC1MEN1KMT2ARAB9ATP53
SCHEMBL14970890 0.75 CYP3A4 (0.78) NPC1MEN1KMT2ARAB9ATP53

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-0292990-B1 4-Halopyridine-3-carboxamide compounds and herbicidal composition thereof DAICEL CHEM (JP) 1995-02-01 EP disclosed
US-4978385-A 4-halopyridine-3-carboxamide compounds and herbicidal compositions thereof DAICEL CHEMICAL INDUSTRIES LTD. (JP) 1990-12-18 US disclosed