SCHEMBL14432804

SCHEMBL14432804

COc1ccc(C(N)=O)cc1NC(=O)c1csc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
ACKR3 P25106 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 4/20 0.41
CCR5 P51681 4/20 0.40
KMT2A Q03164 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
CHEK1 O14757 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38
KDM1A O60341 1/20 0.38
MEN1 O00255 1/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL14432791 0.91 MEN1 (0.40) CYP1A2ALDH1A1LMNACCR5KMT2A
SCHEMBL5229698 0.86 TP53 (0.42) CYP1A2CCR5CHEK1TP53
SCHEMBL14432488 0.84 NAMPT (0.40) CYP1A2ALDH1A1MAPTCCR5KMT2A
SCHEMBL14432776 0.83 TP53 (0.47) CYP1A2ALDH1A1LMNAPOLBCCR5
SCHEMBL14432801 0.83 CYP1A2 (0.41) CYP1A2LMNAMAPTCCR5KMT2A
SCHEMBL14432873 0.82 PPARG (0.41) CYP1A2ALDH1A1LMNAPOLBCCR5
SCHEMBL14432821 0.82 HDAC1 (0.44) ALDH1A1LMNAGAAMAPTKMT2A
SCHEMBL5228484 0.81 TP53 (0.44) ALDH1A1LMNAGAAPOLBMAPT
SCHEMBL14433142 0.81 ALDH1A1 (0.47) CYP1A2ALDH1A1LMNAPOLBCCR5
SCHEMBL14432787 0.80 PPARG (0.48) CYP1A2POLBCCR5IRAK4CHEK1

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-1581528-B1 PIPERIDINYL-THIAZOLE CARBOXYLIC ACID DERIVATIVES AS ANGIOGENESIS INHIBITORS METRIS THERAPEUTICS LTD (GB) 2007-08-01 EP disclosed