SCHEMBL31147870

SCHEMBL31147870

ONCc1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
CHRM2 P08172 1/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
RECQL P46063 1/20 0.55
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PNMT P11086 1/20 0.50
IDO1 P14902 1/20 0.50
POLB P06746 1/20 0.50
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
SCHEMBL11199099 1.00 NPC1 (0.61) NPC1RAB9ACHRM2MEN1KMT2A
SCHEMBL7667060 0.82 PNMT (0.56) NPC1RAB9ACYP3A4CYP2D6CYP2C9
SCHEMBL6072254 0.80 CHRM2 (0.72) NPC1RAB9ACHRM2MEN1KMT2A
SCHEMBL6869146 0.78 IDO1 (0.58) NPC1RAB9ACHRM2MEN1KMT2A
Iodide SCHEMBL9478324 0.78 CHRM2 (0.69) NPC1RAB9ACHRM2MEN1KMT2A
SCHEMBL11957887 0.77 CHRM2 (0.62) NPC1RAB9ACHRM2MEN1KMT2A
SCHEMBL7347293 0.77 PTGS2 (0.62) KMT2ACYP3A4CYP2C9
SCHEMBL15587772 0.76 NPC1 (0.55) NPC1RAB9ACHRM2MEN1KMT2A
SCHEMBL6068451 0.76 PNMT (0.56) NPC1RAB9ACHRM2MEN1KMT2A
SCHEMBL4573865 0.76 RAB9A (0.55) NPC1RAB9ACHRM2MEN1KMT2A

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-12114661-B2 Synergistically effective herbicide composition comprising metobromuron and clomazone BELCHIM CROP PROTECTION NV (BE) 2024-10-15 US disclosed