SCHEMBL9366700

SCHEMBL9366700

N#CC1C=Cc2ccc(F)cc2N1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MGLL Q99685 2/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ HCRTR2 O43614 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ AKR1C3 P42330 3/20 0.35
▸ AKR1C2 P52895 3/20 0.35
▸ F2 P00734 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL9369551 0.91 SMN1; SMN2 (0.58) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL9366734 0.87 LMNA (0.54) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL4429146 0.86 LMNA (0.65) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL9365789 0.83 KMT2A (0.72) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL29624123 0.83 KMT2A (0.72) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL4429170 0.83 LMNA (0.67) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL8342323 0.81 LMNA (0.72) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL9366719 0.81 LMNA (0.44) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL9365734 0.80 LMNA (0.45) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL4422567 0.79 LMNA (0.79) MEN1KMT2ALMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579695-A1 REISSERT COMPOUNDS AS ANTI-HIV AGENTS THE UPJOHN COMPANY (US) 1994-01-26 — — EP claimed
WO-1992016508-A1 REISSERT COMPOUNDS AS ANTI-HIV AGENTS THE UPJOHN COMPANY (US) 1992-10-01 — — WO claimed
EP-0579695-A1 REISSERT COMPOUNDS AS ANTI-HIV AGENTS THE UPJOHN COMPANY (US) 1994-01-26 — — EP disclosed
WO-1992016508-A1 REISSERT COMPOUNDS AS ANTI-HIV AGENTS THE UPJOHN COMPANY (US) 1992-10-01 — — WO disclosed
Send feedback