SCHEMBL9387753

SCHEMBL9387753

COC(=O)c1c(I)cc(I)c(N)c1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.41
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
PDE4A P27815 1/20 0.40
ADRA1A P35348 1/20 0.40
CYP1A2 P05177 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 4/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
KDM4E B2RXH2 5/20 0.38
HPGD P15428 4/20 0.38
GAA P10253 3/20 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
SCHEMBL9717764 0.82 LMNA (0.38) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL9717761 0.81 LMNA (0.37) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL31068449 0.79 CA12 (0.44) CFTRLMNACA12CA1CA2
SCHEMBL27922079 0.79 CA12 (0.44) CFTRLMNACA12CA1CA2
SCHEMBL28367227 0.78 CA12 (0.40) CFTRLMNAALDH1A1HSD17B10CA12
SCHEMBL5142275 0.78 TPMT (0.42) CFTRLMNAALDH1A1HSD17B10CA12
SCHEMBL11713096 0.76 TSHR (0.41) CFTRLMNAALDH1A1HSD17B10CA12
SCHEMBL29394151 0.76 TSHR (0.46) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL6012587 0.76 LMNA (0.40) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL124763 0.76 TSHR (0.46) LMNACYP2C9CHRM1TBXA2RPDE4A

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
WO-1994003269-A1 MICROSPHERES OF POLYHYDROXYLIC MATERIALS ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 1994-02-17 WO disclosed