SCHEMBL7766725

SCHEMBL7766725

CCCc1c(I)c(N)c(I)c(N)c1I

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.33
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
PDE4A P27815 1/20 0.30
ADRA1A P35348 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL9015839 0.80 KDM4E (0.32) NOS2
SCHEMBL7592100 0.74
SCHEMBL5187789 0.74 NOS2 (0.39) NOS2
SCHEMBL3671259 0.71 CHRM1 (0.30) NOS2CHRM1TBXA2RPDE4AADRA1A
SCHEMBL9755618 0.69
SCHEMBL841074 0.69 NOS2 (0.37) NOS2
SCHEMBL12432555 0.67
SCHEMBL7595632 0.67
SCHEMBL7595517 0.66 ALDH1A1 (0.39) CHRM1TBXA2RPDE4AADRA1ALMNA
SCHEMBL2309435 0.65 KDM4E (0.38) NOS2LMNA

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
US-6310243-B1 BENZENE COMPOUNDS IN WHICH 3 NON-ADJACENT RING ATOMS ARE SUBSTITUTED WITH IODINE, 2 OF THE REMAINING RING ATOMS ARE AMIDE SUBSTITUTED WITH HYDROXY AND THE OTHER REMAINING RING ATOM IS A NON-AMIDE, HYDROXY-SUBSTITUTED NONIONIC MOIETY NYCOMED IMAGING AS (NO) 2001-10-30 US disclosed