SCHEMBL29005502

SCHEMBL29005502

O=C(Cc1cc(NC(=O)Cc2c(F)cccc2Cl)cnn1)Nc1cccc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.58
▸ TSHR P16473 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ LMNA P02545 3/20 0.49
▸ MAPT P10636 3/20 0.48
▸ RECQL P46063 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ NTRK1 P04629 1/20 0.45

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
SCHEMBL30285809 1.00 KMT2A (0.58) KMT2ATSHRNPSR1SMN1; SMN2NPC1
SCHEMBL30285857 0.91 SMN1; SMN2 (0.60) KMT2ATSHRNPSR1SMN1; SMN2NPC1
SCHEMBL29005545 0.91 SMN1; SMN2 (0.60) KMT2ATSHRNPSR1SMN1; SMN2NPC1
SCHEMBL26186454 0.87 KMT2A (0.57) KMT2ATSHRNPSR1SMN1; SMN2NPC1
SCHEMBL30285630 0.87 KMT2A (0.57) KMT2ATSHRNPSR1SMN1; SMN2NPC1
SCHEMBL29029246 0.84 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL30403470 0.84 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL30285766 0.83 SMN1; SMN2 (0.64) KMT2ATSHRNPSR1SMN1; SMN2NPC1
SCHEMBL26186443 0.83 SMN1; SMN2 (0.64) KMT2ATSHRNPSR1SMN1; SMN2NPC1
SCHEMBL30285408 0.81 SMN1; SMN2 (0.56) KMT2ATSHRNPSR1SMN1; SMN2NPC1

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
CN-115996911-A Substituted N-phenylacetamides having P2X4 receptor antagonistic activity 拜耳公司 2023-04-21 — — CN disclosed
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