SCHEMBL7760481

SCHEMBL7760481

Cc1cccc(C)c1Nc1ccccc1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
TSHR P16473 1/20 0.55
PTGS2 P35354 3/20 0.49
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAPGEF4 Q8WZA2 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
DHODH Q02127 1/20 0.38
CXCL8 P10145 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6131403 0.86 RAPGEF4 (0.54) ALDH1A1TSHRCYP2C9CYP2C19RAPGEF4
SCHEMBL10695412 0.85 ALDH1A1 (0.59) ALDH1A1TSHRPTGS2CYP2C9CYP2C19
SCHEMBL7341065 0.84 LMNA (0.54) ALDH1A1TSHRPTGS2CYP2C9CYP2C19
SCHEMBL1921293 0.80 RAPGEF4 (0.57) ALDH1A1TSHRPTGS2RAPGEF4MEN1
SCHEMBL4333864 0.80 LMNA (0.60) ALDH1A1TSHRCYP2C9CYP2C19TDP1
SCHEMBL14306858 0.79 ALDH1A1 (0.47) ALDH1A1TSHRPTGS2CYP2C9CYP2C19
SCHEMBL31333015 0.78 CXCL8 (0.49) ALDH1A1TSHRPTGS2CYP2C9CYP2C19
SCHEMBL2553022 0.78 CXCL8 (0.49) ALDH1A1TSHRPTGS2CYP2C9CYP2C19
SCHEMBL4800221 0.78 RAPGEF4 (0.55) ALDH1A1PTGS2RAPGEF4TDP1MEN1
SCHEMBL6131394 0.77 LMNA (0.41) ALDH1A1TSHRCYP2C9CYP2C19TDP1

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
US-20010044511-A1 Polymerization of olefins E.I. DU PONT DE NEMOURS AND COMPANY 2001-11-22 US disclosed
WO-2001072854-A2 POLYMERIZATION OF OLEFINS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2001-10-04 WO disclosed