SCHEMBL14615792

SCHEMBL14615792

Bc1ccc(C2=NCCN=C2c2ccc(Br)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MAPK1 P28482 1/20 0.34
▸ DGAT1 O75907 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.32
▸ RAB9A P51151 4/20 0.31
▸ NPC1 O15118 3/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ PTPN1 P18031 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL5467699 0.89 CYP2A6 (0.42) ALDH1A1HPGDMAPK1DGAT1CYP2A6
SCHEMBL14525912 0.87 ALDH1A1 (0.46) ALDH1A1HPGDMAPK1DGAT1CYP2A6
SCHEMBL10041495 0.77 ALDH1A1 (0.55) ALDH1A1MAPK1DGAT1CYP2A6NR1H4
SCHEMBL21230233 0.77 ALDH1A1 (0.55) ALDH1A1MAPK1DGAT1CYP2A6NR1H4
SCHEMBL14615694 0.75 ALDH1A1 (0.35) ALDH1A1HPGDMAPK1RAB9ANPC1
SCHEMBL881166 0.74 — —
SCHEMBL12810553 0.70 ALDH1A1 (0.42) ALDH1A1MAPK1DGAT1CYP2A6RAB9A
SCHEMBL13626148 0.66 CYP2A6 (0.42) ALDH1A1MAPK1CYP2A6CYP1A2MAPT
SCHEMBL4151921 0.66 MAPK10 (0.41) RAB9ANPC1SMN1; SMN2
SCHEMBL18826765 0.65 ALDH1A1 (0.61) ALDH1A1HPGDMAPK1DGAT1CYP2A6

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
EP-1687856-B1 ELECTROLUMINESCENT DEVICES COMPRISING 2-(P-TRIPHENYL)-3-PHENYL-PYRAZINE DERIVATIVES CIBA SC HOLDING AG (CH) 2007-02-28 — — EP disclosed
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