SCHEMBL19495183

SCHEMBL19495183

C=N/C(=C\NCC)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAOA P21397 2/20 0.36
▸ MAOB P27338 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ PTBP1 P26599 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TRPA1 O75762 2/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL29337015 0.80 SMN1; SMN2 (0.36) GAAPOLBHDAC3HDAC1HDAC2
SCHEMBL21428975 0.69 CES2 (0.35) GAAPOLBMAPTRAB9AMAOA
SCHEMBL21318856 0.69 — —
SCHEMBL21101374 0.66 CES2 (0.35) POLBRAB9AMAOAMAOBTRPA1
SCHEMBL22172336 0.64 MAOA (0.46) HDAC3HDAC1HDAC2MAOAMAOB
SCHEMBL24631062 0.63 SMN1; SMN2 (0.34) GAAPOLBMAPTRAB9ALMNA
SCHEMBL20434140 0.62 — —
Alcohol SCHEMBL28041790 0.62 ACHE (0.53) LMNAHTR7TRPA1ALDH1A1
SCHEMBL10413993 0.61 MAOA (0.55) RAB9AMAOAMAOBLMNAHTR7
SCHEMBL14594223 0.61 ALDH1A1 (0.57) GAAPOLBHDAC3HDAC1HDAC2

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
EP-2935271-B1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 / INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-25 — — EP disclosed
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