SCHEMBL31373286

SCHEMBL31373286

COc1c(Cl)cccc1-c1c(F)ccc2c(N3CCOCC3)c(NC(=O)c3ccnc4ccccc34)cnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ BCHE P06276 5/20 0.41
▸ TP53 P04637 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL31373254 0.91 BCHE (0.43) BCHETP53LMNATHRBPKM
SCHEMBL31373242 0.91 BCHE (0.44) KDM4EHSD17B10TSHRBCHETP53
SCHEMBL31373253 0.91 BCHE (0.44) KDM4EBCHETP53LMNATHRB
SCHEMBL31373291 0.89 BCHE (0.46) KDM4EBCHETP53LMNAALDH1A1
SCHEMBL31373268 0.89 BCHE (0.42) BCHETP53ALDH1A1THRBHPGD
SCHEMBL31373289 0.88 POLB (0.43) KDM4EHSD17B10TSHRBCHETP53
SCHEMBL31373285 0.88 BCHE (0.42) KDM4EBCHETP53LMNAALDH1A1
SCHEMBL31373273 0.88 BCHE (0.44) KDM4EBCHETP53LMNAALDH1A1
SCHEMBL31373297 0.87 BCHE (0.47) KDM4EBCHETP53LMNAALDH1A1
SCHEMBL31373303 0.87 BCHE (0.41) KDM4EBCHETP53LMNAHTT

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-2025027117-A1 CARBOXAMIDE-4-QUINOLINE COMPOUNDS WITH ANTHELMINTIC ACTIVITY INTERVET INTERNATIONAL B.V. (NL) 2025-02-06 — — WO disclosed
Send feedback