SCHEMBL17732131

SCHEMBL17732131

O=C(O)c1n[nH]c(C(=O)O)c1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4C Q9H3R0 1/20 0.44
▸ COPS5 Q92905 1/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ P2RX7 Q99572 1/20 0.41
▸ ALPL P05186 1/20 0.41
▸ TBXA2R P21731 1/20 0.40
▸ PTGFR P43088 1/20 0.40
▸ PTGER3 P43115 1/20 0.40
▸ PTGER2 P43116 1/20 0.40
▸ PTGIR P43119 1/20 0.40

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
SCHEMBL17732129 0.83 AR (0.43) SMN1; SMN2KDM4CLMNAP2RX7
SCHEMBL5023203 0.74 TBXA2R (0.45) HTTKDM4CCOPS5NPSR1LMNA
SCHEMBL20356667 0.69 SMN1; SMN2 (0.54) HTTSMN1; SMN2KDM4CCOPS5P2RX7
SCHEMBL17732132 0.69 MEN1 (0.41) LMNAKMT2AMEN1
SCHEMBL1682174 0.68 P2RX7 (0.52) HTTSMN1; SMN2NPSR1LMNACYP3A4
SCHEMBL5434889 0.68 NPSR1 (0.46) HTTKDM4CNPSR1LMNACYP1A2
SCHEMBL21526053 0.67 SMN1; SMN2 (0.50) HTTSMN1; SMN2KDM4CCOPS5P2RX7
SCHEMBL27810368 0.66 MRGPRX4 (0.56) SMN1; SMN2KDM4CLMNATSHRTBXA2R
SCHEMBL2097653 0.66 IDO1 (0.65) HTTSMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL21526072 0.65 SMN1; SMN2 (0.45) HTTSMN1; SMN2KDM4CCOPS5LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215136-A1 ANTIVIRAL AGENTS DIRECTED AGAINST RESPIRATORY SYNCYTIAL VIRUS Centre National de la Recherche Scientifique (CNRS) (FR) 2017-09-13 — — EP disclosed
WO-2016071470-A1 ANTIVIRAL AGENTS DIRECTED AGAINST RESPIRATORY SYNCYTIAL VIRUS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS - (FR) 2016-05-12 — — WO disclosed
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