SCHEMBL8377172

SCHEMBL8377172

CCCCC[C@H]1CC[C@H](c2ccc(N=C=S)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SPHK1 Q9NYA1 9/20 0.40
▸ ESR2 Q92731 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ P2RY6 Q15077 1/20 0.37
▸ SPHK2 Q9NRA0 5/20 0.35

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
SCHEMBL8377174 1.00 MEN1 (0.43) MEN1KMT2AMAPK1CYP2C9MAPT
SCHEMBL3761254 0.99 MEN1 (0.42) MEN1KMT2AMAPK1CYP2C9MAPT
SCHEMBL10348016 0.99 MEN1 (0.42) MEN1KMT2AMAPK1CYP2C9MAPT
SCHEMBL3761250 0.99 MEN1 (0.42) MEN1KMT2AMAPK1CYP2C9MAPT
SCHEMBL9052415 0.99 MEN1 (0.42) MEN1KMT2AMAPK1CYP2C9MAPT
SCHEMBL3799919 0.99 MEN1 (0.42) MEN1KMT2AMAPK1CYP2C9MAPT
SCHEMBL9052414 0.99 MEN1 (0.42) MEN1KMT2AMAPK1CYP2C9MAPT
SCHEMBL3799918 0.99 MEN1 (0.42) MEN1KMT2AMAPK1CYP2C9MAPT
SCHEMBL10348634 0.97 MEN1 (0.41) MEN1KMT2AMAPK1CYP2C9MAPT
SCHEMBL10653108 0.97 MEN1 (0.41) MEN1KMT2AMAPK1CYP2C9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958290-A ELECTROOPTICAL APPARATUS WITH DIELECTRIC LIQUID CRYSTALS FOR RADIATION TRANSPARENT MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-09-28 — — US disclosed
WO-1996006061-A2 LATERALLY SUBSTITUTED CHLOROARENES, THEIR MANUFACTURE AND MIXTURES CONTAINING THEM WOJSKOWA AKADEMIA TECHNICZNA (PL) 1996-02-29 — — WO disclosed
WO-1996006073-A1 LIQUID CRYSTAL MATERIALS WOJSKOWA AKADEMIA TECHNICZNA (PL) 1996-02-29 — — WO disclosed
US-5344587-A Nitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-06 — — US disclosed
WO-1991005029-A1 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-18 — — WO disclosed
EP-0207975-B1 LIQUID CRYSTALLINE PHASES MERCK PATENT GmbH (DE) 1990-05-16 — — EP disclosed
EP-0226592-B1 LIQUID CRYSTAL PHASE MERCK PATENT GmbH (DE) 1989-09-06 — — EP disclosed
US-4818428-A MIXTURE OF POLAR AND APOLAR COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-04-04 — — US disclosed
EP-0226592-A1 LIQUID CRYSTAL PHASE. MERCK PATENT GMBH (DE) 1987-07-01 — — EP disclosed
EP-0207975-A1 LIQUID CRYSTALLINE PHASES. MERCK PATENT GMBH (DE) 1987-01-14 — — EP disclosed
EP-0205503-A1 LIQUID CRYSTALLINE PHASE. MERCK PATENT GMBH (DE) 1986-12-30 — — EP disclosed
WO-1986005799-A1 LIQUID CRYSTAL PHASE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-10-09 — — WO disclosed
WO-1986004081-A1 LIQUID CRYSTALLINE PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-07-17 — — WO disclosed
WO-1986003769-A1 LIQUID CRYSTALLINE PHASE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-07-03 — — WO disclosed
Send feedback