SCHEMBL29005545

SCHEMBL29005545

O=C(Cc1cc(NC(=O)Cc2c(F)cccc2Cl)cnn1)Nc1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ KMT2A Q03164 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ LMNA P02545 2/20 0.55
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ POLB P06746 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ MAPK8 P45983 1/20 0.47

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
SCHEMBL30285857 1.00 SMN1; SMN2 (0.60) SMN1; SMN2KMT2ATSHRNPSR1LMNA
SCHEMBL29005502 0.91 KMT2A (0.58) SMN1; SMN2KMT2ATSHRNPSR1LMNA
SCHEMBL30285809 0.91 KMT2A (0.58) SMN1; SMN2KMT2ATSHRNPSR1LMNA
SCHEMBL24173309 0.86 SMN1; SMN2 (0.56) SMN1; SMN2KMT2ATSHRNPSR1LMNA
SCHEMBL30285800 0.86 SMN1; SMN2 (0.56) SMN1; SMN2KMT2ATSHRNPSR1LMNA
SCHEMBL30285766 0.84 SMN1; SMN2 (0.64) SMN1; SMN2KMT2ATSHRNPSR1LMNA
SCHEMBL26186443 0.84 SMN1; SMN2 (0.64) SMN1; SMN2KMT2ATSHRNPSR1LMNA
SCHEMBL30403682 0.81 ROCK2 (0.48) SMN1; SMN2KMT2APOLBALDH1A1MAPT
SCHEMBL29029217 0.81 ROCK2 (0.48) SMN1; SMN2KMT2APOLBALDH1A1MAPT
SCHEMBL30285785 0.81 SMN1; SMN2 (0.50) SMN1; SMN2KMT2ATSHRNPSR1LMNA

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
Send feedback