SCHEMBL10347974

SCHEMBL10347974

CCCC1CCC(C2CCC(c3ccc(N=C=S)cc3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CYP2C9 P11712 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ESR2 Q92731 3/20 0.38
▸ P2RY6 Q15077 1/20 0.37
▸ ESR1 P03372 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MIF P14174 1/20 0.33
▸ NOS3 P29474 2/20 0.32
▸ NOS1 P29475 2/20 0.32
▸ NOS2 P35228 2/20 0.32
▸ TLR4 O00206 1/20 0.32
▸ CHEK2 O96017 1/20 0.32
▸ SPHK1 Q9NYA1 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31

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
SCHEMBL10531997 1.00 MEN1 (0.49) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL10532002 1.00 MEN1 (0.49) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL10348559 1.00 MEN1 (0.49) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL17225171 0.96 MEN1 (0.46) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL3791147 0.96 MEN1 (0.52) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL1457321 0.96 MEN1 (0.52) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL10348069 0.94 MEN1 (0.51) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL10347915 0.92 MEN1 (0.41) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL10348631 0.92 MEN1 (0.41) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL10417322 0.92 MEN1 (0.49) MEN1MAPK1KMT2ACYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3470496-A1 SPECTACLES WITH REMOTELY ACTIVATABLE DARKENING Lapanik, Valeri I. (BY) 2019-04-17 — — EP disclosed
EP-3470496-A1 SPECTACLES WITH REMOTELY ACTIVATABLE DARKENING Lapanik, Valeri I. (BY) 2019-04-17 — — EP disclosed
US-4970022-A ISOTHIOCYANATES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-11-13 — — US disclosed
EP-0250505-B1 LIQUID CRYSTAL ISOTHIOCYANATE DERIVATIVES MERCK PATENT GmbH (DE) 1990-07-04 — — EP disclosed
US-4877547-A Liquid crystal display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-10-31 — — US disclosed
EP-0258346-A1 LIQUID CRYSTAL DISPLAY ELEMENT. MERCK PATENT GMBH (DE) 1988-03-09 — — EP disclosed
WO-1987005317-A1 LIQUID CRYSTAL DISPLAY ELEMENT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-09-11 — — WO disclosed
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