SCHEMBL10796129

SCHEMBL10796129

Cc1ccc(Cn2cnc(CCCc3c(C)cccc3C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CYP19A1 P11511 2/20 0.40
LMNA P02545 3/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC1 Q13547 2/20 0.34
POLB P06746 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KLKB1 P03952 2/20 0.32
HPGDS O60760 1/20 0.32

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
SCHEMBL10789833 0.93 CYP11B1 (0.41) CYP11B1CYP11B2CYP19A1LMNAHTT
SCHEMBL10790079 0.83 HPGDS (0.42) CYP11B1CYP11B2CYP19A1POLBNPC1
SCHEMBL10790688 0.81 CYP2C9 (0.38) LMNA
SCHEMBL10792191 0.77 CYP11B1 (0.39) CYP11B1CYP11B2CYP19A1LMNAHTT
SCHEMBL10792293 0.77 KDM4C (0.39) LMNAHTTSMN1; SMN2POLBNPC1
SCHEMBL10795781 0.76 HPGDS (0.43) CYP11B1CYP11B2CYP19A1POLBNPC1
SCHEMBL10792658 0.75 CYP2C9 (0.51) LMNASMN1; SMN2
SCHEMBL10792085 0.75 CYP11B1 (0.47) CYP11B1CYP11B2LMNAHTTSMN1; SMN2
SCHEMBL2200116 0.73 HPGDS (0.40) CYP11B1CYP11B2CYP19A1LMNAPOLB
SCHEMBL10795509 0.73 CYP11B1 (0.49) CYP11B1CYP11B2LMNAPOLB

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
US-RE32400-E Substituted imidazole derivatives and their use as anti-thrombosis agents FARMOS YHTYMA OY (FI) 1987-04-14 US disclosed
US-4514412-A HYPOTENSIVES, BETA BLOCKERS FARMOS YHTYMA OY (FI) 1985-04-30 US disclosed
EP-0058047-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos-Yhtyma Oy (FI) 1984-11-07 EP disclosed
EP-0058047-A1 Substituted imidazole derivatives and their preparation and use Farmos-Yhtyma Oy (FI) 1982-08-18 EP disclosed