SCHEMBL17266855

SCHEMBL17266855

C1=C(c2ccccc2)NC(c2ccccc2)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TNKS2 Q9H2K2 2/20 0.36
▸ P2RX7 Q99572 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ GFER P55789 1/20 0.34
▸ CACNA1D Q01668 2/20 0.33
▸ PKM P14618 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
SCHEMBL20650996 0.75 PTGS2 (0.43) ALDH1A1HPGDHSD17B10KMT2AMEN1
SCHEMBL10815805 0.72 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL28221248 0.72 NPC1 (0.30) NPC1RAB9A
SCHEMBL27817087 0.72 P2RX7 (0.30) P2RX7
SCHEMBL22889194 0.69 KMT2A (0.47) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL20618802 0.67 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL20733760 0.65 ALDH1A1 (0.37) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL6844725 0.64 TNKS2 (0.45) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL7541231 0.63 — —
SCHEMBL1316915 0.63 MEN1 (0.44) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4

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-2944676-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE Konica Minolta, Inc. (JP) 2015-11-18 — — EP disclosed
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