SCHEMBL18633152

SCHEMBL18633152

C=N/C=N\c1cc(F)c([N+](=O)[O-])cc1CNc1ccc(F)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ POLB P06746 1/20 0.48
▸ ALDH3A1 P30838 1/20 0.45
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ PLA2G1B P04054 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ ATG4B Q9Y4P1 1/20 0.44
▸ GAA P10253 3/20 0.40
▸ PKM P14618 1/20 0.40
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL15759992 0.67 MAPT (0.61) MAPTALDH1A1POLBALDH3A1CYP3A4
SCHEMBL12218459 0.64 MAPT (0.62) MAPTALDH1A1POLBCYP3A4CYP2C9
SCHEMBL10390687 0.62 CYP3A4 (0.53) MAPTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1521528 0.62 MAPT (0.52) MAPTALDH1A1POLBALDH3A1CYP2C19
SCHEMBL7128898 0.61 HTR6 (0.62) MAPTALDH1A1POLBALDH3A1GAA
SCHEMBL11526512 0.61 CYP3A4 (0.62) MAPTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL18956811 0.60 MAPT (0.51) MAPTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL27543438 0.60 CYP3A4 (0.57) MAPTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL15363559 0.60 CYP2C9 (0.61) MAPTALDH1A1POLBCYP3A4CYP2C9
SCHEMBL16645403 0.60 CYP2C9 (0.61) MAPTALDH1A1POLBCYP3A4CYP2C9

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-2612860-B1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2017-03-15 — — EP disclosed
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