SCHEMBL23864300

SCHEMBL23864300

N#Cc1ccc(Cl)c(NC(=O)c2ccccc2C(O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ MAPT P10636 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ AVPR2 P30518 1/20 0.44
▸ GPR27 Q9NS67 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ SLC22A12 Q96S37 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ TAS1R2 Q8TE23 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ P2RX1 P51575 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TRPM4 Q8TD43 1/20 0.42

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 0.83 HTT (0.61) KMT2AMAPTSMN1; SMN2HTTCYP1A2
SCHEMBL16088601 0.82 KMT2A (0.51) KMT2AMAPTSMN1; SMN2HTTCYP1A2
SCHEMBL23864601 0.74 TRPM4 (0.51) KMT2AMAPTSMN1; SMN2HTTAVPR2
SCHEMBL13170059 0.72 ALDH1A1 (0.54) KMT2AMAPTSMN1; SMN2HTTCYP1A2
SCHEMBL30962791 0.72 NFKB1 (0.50) KMT2ASMN1; SMN2HPGDPPARGMEN1
SCHEMBL29758005 0.71 GPR35 (0.69) KMT2AMAPTSMN1; SMN2HTTMEN1
SCHEMBL11568751 0.71 GPR35 (0.69) KMT2AMAPTSMN1; SMN2HTTMEN1
SCHEMBL9694316 0.70 CYP1A2 (0.48) KMT2AMAPTSMN1; SMN2CYP1A2HPGD
SCHEMBL23486868 0.70 PDK1 (0.46) KMT2AMAPTSMN1; SMN2HTTCYP1A2
SCHEMBL31703290 0.70 ALDH1A1 (0.55) KMT2AMAPTSMN1; SMN2HTTCYP1A2

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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