SCHEMBL9526252

SCHEMBL9526252

CC1=C(C(=O)CBr)Cc2ccc(C)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 3/20 0.45
GSK3B P49841 1/20 0.43
HTR2C P28335 2/20 0.36
HTR2A P28223 1/20 0.36
HSD11B1 P28845 1/20 0.35
ACHE P22303 1/20 0.35
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
MAPT P10636 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PARP1 P09874 1/20 0.34
PARP10 Q53GL7 1/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL9528073 0.80 METAP1 (0.50) METAP1HTR2CHTR2AHSD11B1ACHE
SCHEMBL9526971 0.80 METAP1 (0.50) METAP1HSD11B1ACHERAB9ANPC1
SCHEMBL9530655 0.79 METAP1 (0.49) METAP1HTR2CHTR2AHSD11B1ACHE
Hydrochloric Acid SCHEMBL9530665 0.79 METAP1 (0.49) METAP1HSD11B1ACHERAB9ANPC1
SCHEMBL17918272 0.77 METAP1 (0.44) METAP1HSD11B1RAB9ANPC1MAPT
SCHEMBL9527170 0.69 GSK3B (0.36) GSK3BHSD11B1ACHECA1CA2
SCHEMBL27293825 0.68 METAP1 (0.55) METAP1HTR2CHTR2AACHERAB9A
SCHEMBL1609651 0.68 METAP1 (0.71) METAP1HTR2CHTR2AACHEMAPT
SCHEMBL29633503 0.67 METAP1 (0.57) METAP1HTR2CHTR2AACHERAB9A
SCHEMBL546147 0.67 METAP1 (0.57) METAP1HTR2CHTR2AACHERAB9A

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-0310745-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE ORION-YHTYMÄ OY (FI) 1993-01-27 EP disclosed
EP-0183492-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos-Yhtyma Oy (FI) 1989-11-15 EP disclosed
EP-0310745-A2 Substituted imidazole derivatives and their preparation and use ORION-YHTYMÄ OY (FI) 1989-04-12 EP disclosed
US-4689339-A 4-dihydroinden-2-yl-, 4-tetrahydronaphth-2-yl-, and 4-dihydrobenzofuran-2-ylimidazoles, useful to block α2 -adrenergic receptors FARMOS YHTYMA OY (FI) 1987-08-25 US disclosed