SCHEMBL31019671

SCHEMBL31019671

COc1ccc(CON)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.62
AGXT P21549 5/20 0.52
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
APLNR P35414 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ADRA1A P35348 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
POLB P06746 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL7704446 0.84 KMT2A (0.46) IDO1ALDH1A1KMT2AAPLNRKDM1A
SCHEMBL7704442 0.81 ALDH1A1 (0.43) IDO1ALDH1A1KMT2AAPLNRKDM1A
SCHEMBL1883949 0.81 IDO1 (0.73) IDO1AGXTALDH1A1KMT2AAPLNR
SCHEMBL607968 0.80 HTR2B (0.50) IDO1ALDH1A1KMT2AAPLNRKDM1A
SCHEMBL11295684 0.79 GPR84 (0.47) ALDH1A1KMT2AAPLNRKDM1AMAOA
SCHEMBL1690285 0.78 HTT (0.46) ALDH1A1KMT2AAPLNRKDM1AMAOA
SCHEMBL12340483 0.77 TAAR1 (0.62) ALDH1A1KMT2AMAOBADRA1ATAAR1
SCHEMBL1520971 0.77 IDO1 (1.00) IDO1AGXTALDH1A1KMT2AADRA1A
SCHEMBL31167335 0.77 APLNR (0.42) IDO1ALDH1A1KMT2AAPLNRKDM1A
SCHEMBL17943052 0.77 ALDH1A1 (0.41) IDO1ALDH1A1KMT2AAPLNRKDM1A

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
WO-2024162284-A1 PYRAZOLE-4-CARBOXAMIDE COMPOUND AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT USING SAME クミアイ化学工業株式会社 2024-08-08 WO disclosed