SCHEMBL9188288

SCHEMBL9188288

CC(=O)c1cc(N(c2cccc(C)c2)c2cccc(C)c2)cc(N(c2cccc(C)c2)c2cccc(C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 3/20 0.44
▸ HSD17B2 P37059 3/20 0.44
▸ PARP1 P09874 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ HPGD P15428 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL133412 0.88 HSD17B1 (0.45) HSD17B1HSD17B2PARP1LMNAHPGD
SCHEMBL9853340 0.86 DHODH (0.45) HSD17B1HSD17B2PARP1HPGDALDH1A1
SCHEMBL147931 0.83 ACHE (0.52) HSD17B1HSD17B2LMNAALDH1A1MAPT
SCHEMBL29391727 0.83 ACHE (0.52) HSD17B1HSD17B2LMNAALDH1A1MAPT
SCHEMBL28654162 0.82 POLB (0.49) HSD17B1HSD17B2PARP1HPGDTDP1
SCHEMBL8766625 0.81 ACHE (0.50) HSD17B1HSD17B2LMNAALDH1A1MAPT
SCHEMBL134721 0.81 ACHE (0.55) HSD17B1HSD17B2LMNAALDH1A1MAPT
SCHEMBL29692933 0.81 ACHE (0.55) HSD17B1HSD17B2LMNAALDH1A1MAPT
SCHEMBL13351679 0.81 HSD17B1 (0.39) HSD17B1HSD17B2PARP1LMNAHPGD
SCHEMBL22910885 0.80 HSD17B1 (0.46) HSD17B1HSD17B2PARP1LMNAMAOB

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-0455247-B1 m-Phenylenediamine compound and electrophotosensitive material using said compound MITA INDUSTRIAL CO LTD (JP) 1995-09-13 — — EP disclosed
EP-0455247-A2 m-Phenylenediamine compound and electrophotosensitive material using said compound MITA INDUSTRIAL CO. LTD. (JP) 1991-11-06 — — EP disclosed
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