SCHEMBL30997351

SCHEMBL30997351

Cc1ccc(CC(CCl)NC(=O)c2c(Oc3cccc(C(F)(F)F)c3)nnn2C)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.40
AKR1C3 P42330 1/20 0.39
P2RY1 P47900 1/20 0.38
TP53 P04637 1/20 0.38
CCR2 P41597 8/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
PTGER2 P43116 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL31719631 0.86 RAB9A (0.39) PTGER4P2RY1CCR2RAB9APTGER2
SCHEMBL22116017 0.83 PTGER4 (0.43) PTGER4P2RY1CCR2RAB9AALDH1A1
SCHEMBL30308995 0.83 PTGER4 (0.43) PTGER4P2RY1CCR2RAB9AALDH1A1
SCHEMBL31362970 0.81 AKR1C3 (0.40) PTGER4AKR1C3P2RY1TP53CCR2
SCHEMBL24103432 0.78 RAB9A (0.39) PTGER4P2RY1CCR2RAB9A
SCHEMBL29162379 0.78 RAB9A (0.39) PTGER4P2RY1CCR2RAB9A
SCHEMBL30324813 0.78 RAB9A (0.39) PTGER4P2RY1CCR2RAB9A
SCHEMBL22116206 0.76 P2RY1 (0.34) PTGER4P2RY1CCR2RAB9AALDH1A1
SCHEMBL22116201 0.76 P2RY1 (0.34) PTGER4P2RY1CCR2RAB9AALDH1A1
SCHEMBL22116047 0.75 PTGER4 (0.42) PTGER4P2RY1CCR2RAB9AALDH1A1

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-2024143338-A1 FIVE-MEMBERED HETEROARYL COMPOUND AND AGRICULTURAL AND HORTICULTURAL BACTERICIDE 日本曹達株式会社 2024-07-04 WO disclosed