SCHEMBL23864601

SCHEMBL23864601

C=C(Nc1cc(C#N)ccc1Cl)c1ccccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM4 Q8TD43 1/20 0.51
▸ HTT P42858 1/20 0.50
▸ CCR2 P41597 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ CXCR1 P25024 1/20 0.41
▸ CXCR2 P25025 1/20 0.41
▸ SLC22A12 Q96S37 1/20 0.41
▸ AVPR2 P30518 1/20 0.41

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
SCHEMBL16088827 0.88 HTT (0.61) TRPM4HTTCCR2SMN1; SMN2KMT2A
SCHEMBL23864691 0.76 ALDH1A1 (0.47) HTTMAPTGAAKDM4ENPC1
SCHEMBL16088601 0.76 KMT2A (0.51) HTTSMN1; SMN2KMT2AMAPTMEN1
SCHEMBL11568751 0.76 GPR35 (0.69) TRPM4HTTSMN1; SMN2KMT2AMAPT
SCHEMBL29758005 0.76 GPR35 (0.69) TRPM4HTTSMN1; SMN2KMT2AMAPT
SCHEMBL23864300 0.74 KMT2A (0.47) TRPM4HTTSMN1; SMN2KMT2AMAPT
SCHEMBL13170059 0.74 ALDH1A1 (0.54) HTTSMN1; SMN2KMT2AMAPTMEN1
SCHEMBL2225438 0.73 ALDH1A1 (0.57) TRPM4HTTSMN1; SMN2MAPTKDM4E
SCHEMBL16088612 0.72 HTT (0.61) HTTSMN1; SMN2KMT2AMAPTGAA
SCHEMBL23486868 0.72 PDK1 (0.46) TRPM4HTTSMN1; SMN2KMT2AMAPT

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
EP-2968330-B1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS SCRIPPS RESEARCH INST (US) 2021-09-29 — — EP disclosed
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