SCHEMBL10619250

SCHEMBL10619250

C=C(C1=CCN(Cc2ccccc2)C=C1)C1=CCN(Cc2ccccc2)C=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ FUCA1 P04066 2/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ MC4R P32245 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ PLG P00747 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ CTSG P08311 1/20 0.32
▸ CMA1 P23946 1/20 0.32
▸ CTRC Q99895 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP2C9 P11712 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
SCHEMBL5969762 0.81 ADRA1D (0.38) KMT2AALDH1A1GAA
SCHEMBL16385837 0.80 ALDH1A1 (0.43) MEN1KMT2AKDM4EALDH1A1CYP3A4
Bromide SCHEMBL29099290 0.77 MAPT (0.41) MEN1KMT2AALDH1A1CYP1A2GAA
SCHEMBL25379874 0.75 LMNA (0.41) SIGMAR1KDM4EGSK3AGSK3BMGLL
SCHEMBL8804597 0.75 SIGMAR1 (0.39) SIGMAR1KDM4EGSK3AGSK3BMGLL
SCHEMBL5174444 0.74 SIGMAR1 (0.36) SIGMAR1KDM4EGSK3AGSK3BMGLL
Bromide SCHEMBL29099282 0.73 SIGMAR1 (0.38) SIGMAR1KMT2AGSK3AGSK3BMGLL
SCHEMBL11048801 0.72 SIGMAR1 (0.41) SIGMAR1GSK3AGSK3BMGLLMC4R
Bromide SCHEMBL28711468 0.72 SIGMAR1 (0.37) SIGMAR1KMT2AKDM4EGSK3AGSK3B
SCHEMBL23036031 0.71 LMNA (0.42) SIGMAR1MEN1KMT2AGSK3AGSK3B

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
JP-63063781-A — — None — — JP disclosed
JP-S6363781-A REVERSIBLE PHOTOCHROMIC AGENT NIPPON OIL & FATS CO LTD 1988-03-22 — — JP disclosed
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