SCHEMBL9116316

SCHEMBL9116316

O=C(Nc1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
ALDH1A1 P00352 3/20 0.61
LMNA P02545 2/20 0.61
CCR2 P41597 5/20 0.60
CCR1 P32246 1/20 0.60
GRIK1 P39086 6/20 0.57
DHODH Q02127 1/20 0.56
RAB9A P51151 3/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPT P10636 2/20 0.53
NFKB1 P19838 1/20 0.53
GFER P55789 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
IDO1 P14902 2/20 0.51

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
SCHEMBL12204331 0.85 CA12 (0.67) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5594972 0.84 DHODH (0.75) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9117619 0.81 TRPV1 (0.60) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6823242 0.78 GRIK1 (0.75) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9118124 0.78 GRIK1 (0.61) MEN1KMT2ACCR2CCR1GRIK1
SCHEMBL4548131 0.76 KMT2A (1.00) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5171084 0.75 KMT2A (0.58) NPC1MEN1KMT2ASMN1; SMN2GRIK1
SCHEMBL4105004 0.74 CNR1 (0.74) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL11054644 0.74 CNR1 (0.74) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8109117 0.74 MEN1 (0.64) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995033460-A1 ANTI-INFLAMMATORY COUMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO claimed
US-5447957-A Anti-inflammatory compounds SMITHKLINE BEECHAM CORP. (US) 1995-09-05 US claimed
WO-1995033460-A1 ANTI-INFLAMMATORY COUMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed
US-5447957-A Anti-inflammatory compounds SMITHKLINE BEECHAM CORP. (US) 1995-09-05 US disclosed