SCHEMBL7973486

SCHEMBL7973486

CCS(=O)(=O)NC(=O)c1ccccc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KCNA5 P22460 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
CA12 O43570 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MYC P01106 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
F2R P25116 1/20 0.36
HPGD P15428 2/20 0.36
NR3C2 P08235 1/20 0.36
RBP4 P02753 1/20 0.36

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
SCHEMBL7973398 0.89 KCNA5 (0.41) LMNAGAACA9CA1CA2
SCHEMBL7986990 0.83 MYC (0.53) LMNAGAAKDM4EMYCTSHR
SCHEMBL7991060 0.78 F2R (0.46) LMNAGAAKCNA5KDM4EMYC
SCHEMBL10946343 0.78 LMNA (0.43) LMNAGAAITGB1ITGA4TSHR
SCHEMBL7973404 0.78 FLT1 (0.56) GAAF2RHPGD
SCHEMBL7223846 0.78 L3MBTL1 (0.49) LMNAGAACA9CA1ITGB1
SCHEMBL418095 0.78 CTSD (0.53) LMNAGAACA9CA1CA2
SCHEMBL7973194 0.77 FLT1 (0.58) LMNAF2RHPGD
SCHEMBL7987848 0.77 HPGD (0.61) LMNAGAAKDM4EHPGD
SCHEMBL7974323 0.77 ALDH1A1 (0.53) KDM4ETSHRHTTF2RHPGD

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-6331628-B1 REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-18 US disclosed