SCHEMBL10454937

SCHEMBL10454937

Cc1cc(-c2c(I)cc(O)c3c(C)c(O)c(O)cc23)cc(O)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ NUAK1 O60285 1/20 0.31
▸ IGF1R P08069 1/20 0.31
▸ MET P08581 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ NEK2 P51955 1/20 0.31
▸ PLK1 P53350 1/20 0.31
▸ PTK2 Q05397 1/20 0.31
▸ PKN1 Q16512 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ NEK6 Q9HC98 1/20 0.31
▸ ALK Q9UM73 1/20 0.31
▸ BCL2 P10415 1/20 0.30
▸ BCL2L1 Q07817 1/20 0.30
▸ MCL1 Q07820 1/20 0.30
▸ BCL2L2 Q92843 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
SCHEMBL9721344 0.80 CA1 (0.38) CA1CA2BCL2BCL2L1MCL1
SCHEMBL9721310 0.72 CYP3A4 (0.35) CA1CA2NUAK1IGF1RMET
SCHEMBL9721418 0.72 CA1 (0.36) CA1CA2
SCHEMBL10454966 0.70 CYP3A4 (0.35) CA1CA2NUAK1IGF1RMET
SCHEMBL19126271 0.66 CA1 (0.78) CA1CA2
SCHEMBL9721307 0.64 ERN1 (0.38) CA1CA2
SCHEMBL9721279 0.64 CA1 (0.46) CA1CA2SRC
SCHEMBL9721303 0.64 SELL (0.37) KDRBCL2BCL2L1MCL1BCL2L2
SCHEMBL10453709 0.62 TSHR (0.35) SRCKDR
SCHEMBL7929083 0.62 CA1 (0.54) CA1CA2

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-1990011988-A1 SUBSTITUTED 1-PHENYLNAPHTHALENES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-10-18 — — WO disclosed
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