SCHEMBL30739705

SCHEMBL30739705

Cc1c(NC(=O)c2ccccc2)ccc([N+](=O)[O-])c1C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.79
HCAR3 P49019 1/20 0.66
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
MAPK1 P28482 3/20 0.61
ALDH1A1 P00352 3/20 0.61
GLA P06280 1/20 0.61
CASP3 P42574 1/20 0.61
HTT P42858 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
MAPT P10636 2/20 0.60
GAA P10253 1/20 0.60
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 1/20 0.53
PHGDH O43175 1/20 0.52
HPGD P15428 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
SCHEMBL1335449 0.88 POLB (1.00) POLBHCAR3NPC1RAB9AMAPK1
SCHEMBL3116240 0.81 POLB (0.64) POLBHCAR3NPC1RAB9AMAPK1
SCHEMBL30735789 0.81 HCAR3 (0.63) POLBHCAR3NPC1RAB9AMAPK1
SCHEMBL4583812 0.81 HCAR3 (0.63) POLBHCAR3NPC1RAB9AMAPK1
SCHEMBL29062156 0.80 POLB (0.63) POLBHCAR3NPC1RAB9AMAPK1
SCHEMBL7123707 0.80 NPSR1 (0.55) POLBNPC1RAB9AMAPK1ALDH1A1
SCHEMBL641989 0.80 PHGDH (0.77) POLBHCAR3NPC1RAB9AMAPK1
SCHEMBL30539486 0.80 NPSR1 (0.55) POLBNPC1RAB9AMAPK1ALDH1A1
SCHEMBL30739788 0.78 POLB (0.64) POLBHCAR3NPC1RAB9AMAPK1
SCHEMBL7597875 0.77 HCAR3 (0.80) POLBHCAR3NPC1RAB9AMAPK1

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
CN-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN disclosed