SCHEMBL9507228

SCHEMBL9507228

O=CC(=Cc1cccnc1)c1c(F)cccc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ALDH1A1 P00352 4/20 0.44
CYP19A1 P11511 3/20 0.44
MAPT P10636 3/20 0.44
CYP11B2 P19099 3/20 0.44
MAPK1 P28482 2/20 0.44
KMT2A Q03164 2/20 0.44
NFE2L2 Q16236 1/20 0.43
CYP11B1 P15538 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
GAA P10253 2/20 0.41
NTSR1 P30989 1/20 0.41
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9507224 1.00 LMNA (0.46) LMNAALDH1A1CYP19A1MAPTCYP11B2
SCHEMBL9508596 0.90 JAK2 (0.42) LMNAALDH1A1CYP19A1MAPTCYP11B2
SCHEMBL9508591 0.90 JAK2 (0.42) LMNAALDH1A1CYP19A1MAPTCYP11B2
SCHEMBL9507197 0.84 CYP11B2 (0.46) ALDH1A1CYP19A1MAPTCYP11B2MAPK1
SCHEMBL9507195 0.84 CYP11B2 (0.46) ALDH1A1CYP19A1MAPTCYP11B2MAPK1
SCHEMBL9509605 0.82 CYP11B2 (0.44) LMNAALDH1A1CYP19A1MAPTCYP11B2
SCHEMBL9509612 0.82 CYP11B2 (0.44) LMNAALDH1A1CYP19A1MAPTCYP11B2
SCHEMBL9507274 0.81 KMT2A (0.55) LMNAALDH1A1CYP19A1MAPTCYP11B2
SCHEMBL9507267 0.81 KMT2A (0.55) LMNAALDH1A1CYP19A1MAPTCYP11B2
SCHEMBL9724840 0.76 CYP11B2 (0.65) ALDH1A1CYP19A1MAPTCYP11B2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0298380-B1 PROCESS FOR THE PREPARATION OF ALPHA-BETA-SUBSTITUTED ACROLEINS BASF Aktiengesellschaft (DE) 1993-09-29 EP disclosed
US-4920232-A CHEMICAL INTERMEDIATES BASF AKTIENGESELLSCHAFT (DE) 1990-04-24 US disclosed
EP-0298380-A2 Process for the preparation of alpha-beta-substituted acroleins BASF Aktiengesellschaft (DE) 1989-01-11 EP disclosed