SCHEMBL27408485

SCHEMBL27408485

NCc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(N)cc3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.58
▸ MEN1 O00255 5/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ MAPT P10636 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ HPGD P15428 3/20 0.57
▸ KDM4E B2RXH2 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ GLA P06280 1/20 0.54
▸ LOXL2 Q9Y4K0 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ LTB4R Q15722 3/20 0.48
▸ ADORA2A P29274 2/20 0.46
▸ ADORA1 P30542 2/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.45
▸ CYP2A6 P11509 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ XDH P47989 1/20 0.43

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
SCHEMBL28110796 0.93 TAAR1 (0.67) TAAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL28196228 0.93 TAAR1 (0.67) TAAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL27415476 0.91 MEN1 (0.59) TAAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL23049451 0.88 MEN1 (0.71) TAAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL19139417 0.88 MEN1 (0.71) TAAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL19417186 0.88 MEN1 (0.71) TAAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL30239367 0.88 MEN1 (0.71) TAAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL8487288 0.88 MEN1 (0.71) TAAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL19417180 0.88 MEN1 (0.71) TAAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL15684031 0.88 MEN1 (0.71) TAAR1MEN1KMT2AMAPTALDH1A1

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
CN-1087015-C Pyridine derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2002-07-03 — — CN disclosed
CN-1169721-A Pyridine derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 1998-01-07 — — CN disclosed
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