SCHEMBL9199891

SCHEMBL9199891

COc1ccc(NC(=O)c2c(-c3ccccc3)nc3ccccc3c2Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.60
CYP3A4 P08684 3/20 0.59
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
GAA P10253 2/20 0.56
ADORA3 P0DMS8 2/20 0.56
POLB P06746 1/20 0.55
MAPT P10636 5/20 0.54
KDM4E B2RXH2 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
CNR1 P21554 1/20 0.53
NPC1 O15118 2/20 0.52
PKM P14618 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
MAPK1 P28482 1/20 0.51

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
SCHEMBL9192241 0.87 CYP3A4 (0.58) LMNACYP3A4MEN1KMT2AGAA
SCHEMBL28844477 0.79 TACR3 (0.65) LMNACYP3A4MEN1KMT2AGAA
SCHEMBL29864839 0.79 TACR3 (0.65) LMNACYP3A4MEN1KMT2AGAA
SCHEMBL11083265 0.76 ADORA3 (0.63) CYP3A4MEN1KMT2AGAAADORA3
SCHEMBL9197678 0.75 CYP3A4 (0.57) CYP3A4MEN1KMT2AGAAADORA3
SCHEMBL10388269 0.74 ADORA3 (0.58) LMNACYP3A4MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL7451949 0.74 DHODH (0.62) LMNACYP3A4MEN1KMT2AGAA
SCHEMBL7451940 0.74 DHODH (0.56) LMNACYP3A4MEN1KMT2AGAA
SCHEMBL14148658 0.71 LMNA (0.76) LMNAMEN1KMT2AGAAPOLB
SCHEMBL12189553 0.71 NPC1 (0.57) LMNACYP3A4MEN1KMT2AGAA

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 3 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
EP-0292990-A1 4-Halopyridine-3-carboxamide compounds and herbicidal composition thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-30 EP disclosed