SCHEMBL27923636

SCHEMBL27923636

CCCCCCn1c2cc(Br)sc2c2ccsc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ G6PD P11413 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PSEN1 P49768 2/20 0.33
▸ PSEN2 P49810 2/20 0.33
▸ APH1B Q8WW43 2/20 0.33
▸ NCSTN Q92542 2/20 0.33
▸ APH1A Q96BI3 2/20 0.33
▸ PSENEN Q9NZ42 2/20 0.33
▸ MAPT P10636 2/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL12184971 0.80 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4584716 0.80 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15274951 0.80 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15274946 0.80 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17010971 0.78 SIGMAR1 (0.41) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL13558215 0.74 RORA (0.41) ALDH1A1MAPTNPSR1KDM4EPKM
SCHEMBL9910008 0.71 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15277852 0.70 TDP1 (0.45) ALDH1A1TP53HSP90AA1CYP3A4G6PD
SCHEMBL15979462 0.70 TDP1 (0.45) ALDH1A1TP53HSP90AA1CYP3A4G6PD
SCHEMBL16155984 0.70 TDP1 (0.45) ALDH1A1TP53HSP90AA1CYP3A4G6PD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103154002-A Organic semiconductor material, preparation methods and uses thereof OCEANS KING LIGHTING SCIENCE 2013-06-12 — — CN disclosed
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