SCHEMBL31495201

SCHEMBL31495201

CC1(C)OB(c2ccc(C(=O)N3CCN(Cc4ccc(F)cc4)CC3)cc2)OC1(C)C

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
PRKAA2 P54646 1/20 0.55

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
SCHEMBL2967724 0.82 ALDH1A1 (0.47) CA1CA2CA9
SCHEMBL3416907 0.82 HRH3 (0.47)
SCHEMBL3260668 0.82 HRH3 (0.61)
SCHEMBL3268289 0.81 F11 (0.49) CA1CA2CA9
SCHEMBL15774077 0.81 HRH3 (0.46)
SCHEMBL14934949 0.80 ALDH1A1 (0.56)
SCHEMBL13977671 0.80 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL22422539 0.80 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL578389 0.78 POLB (0.55)
SCHEMBL12621028 0.78 POLB (0.55)

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-2025037870-A1 BENZOFURAN COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME FOR PREVENTING OR TREATING CANCER DISEASES AND CANCER METASTASIS 한국생명공학연구원 2025-02-20 WO disclosed