SCHEMBL10610772

SCHEMBL10610772

CC1(C)Oc2cc(OCC(F)(F)F)ccc2-c2nn[se]c21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GPR3 P46089 1/20 0.36
▸ PPARG P37231 3/20 0.33
▸ PPARA Q07869 3/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAOB P27338 5/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ BACE1 P56817 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ GPR55 Q9Y2T6 1/20 0.31

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
SCHEMBL10609372 0.87 LMNA (0.39) LMNAALDH1A1POLBNPSR1TDP1
SCHEMBL10609817 0.84 GPR55 (0.33) LMNAALDH1A1POLBNPSR1TDP1
SCHEMBL10612462 0.84 ALDH1A1 (0.34) LMNAALDH1A1POLBNPSR1TDP1
SCHEMBL10609633 0.82 CA12 (0.36) ALDH1A1MAOB
SCHEMBL10609712 0.82 MEN1 (0.37) LMNAALDH1A1MAOB
SCHEMBL10610241 0.82 GPR55 (0.38) LMNAALDH1A1POLBNPSR1CNR2
SCHEMBL10608551 0.81 THRA (0.39) —
SCHEMBL10610462 0.81 KDM4E (0.38) ALDH1A1
SCHEMBL10612509 0.81 THRA (0.39) —
SCHEMBL10609346 0.81 THRA (0.39) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0271550-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES AND COMPOSITIONS CONTAINING THEM ALKALOIDA VEGYéSZETI GYáR (HU) 1988-06-22 — — EP disclosed
WO-1988000197-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES AND COMPOSITIONS CONTAINING THEM ALKALOIDA VEGYE^´SZETI GYA^´R (HU) 1988-01-14 — — WO disclosed
Send feedback