SCHEMBL1432803

SCHEMBL1432803

Cc1cccc(C[C@H](NC(=O)C2CCCN2C)C(=O)NCc2ccc(N)nc2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 4/20 0.41
▸ MASP2 O00187 2/20 0.40
▸ CTSL P07711 2/20 0.40
▸ CTSS P25774 2/20 0.40
▸ CTSK P43235 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ CTSV O60911 1/20 0.40
▸ ITGB1 P05556 1/20 0.39
▸ ITGA4 P13612 1/20 0.39
▸ ITGA2 P17301 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KLKB1 P03952 1/20 0.39
▸ PPIB P23284 1/20 0.38

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
SCHEMBL1432319 0.91 KMT2A (0.43) MASP2CTSSCTSKALDH1A1MEN1
SCHEMBL1432409 0.91 CTSL (0.48) CTSBCTSLCTSSCTSKCTSV
SCHEMBL1433055 0.91 KMT2A (0.43) MASP2CTSSCTSKALDH1A1MEN1
SCHEMBL1432824 0.91 MASP2 (0.41) MASP2ITGB1ITGA4MEN1KMT2A
SCHEMBL1432148 0.90 KMT2A (0.43) ALDH1A1MEN1KMT2AKLKB1PPIB
SCHEMBL1432743 0.90 ALDH1A1 (0.39) CTSBMASP2ALDH1A1MAPTCRHBP
SCHEMBL1432377 0.89 MAPK14 (0.45) CTSLKMT2A
SCHEMBL1432180 0.88 DPP4 (0.40) MASP2ALDH1A1MAPTMEN1KMT2A
SCHEMBL1431638 0.88 DPP4 (0.40) MASP2ALDH1A1MAPTMEN1KMT2A
SCHEMBL1431568 0.88 TACR1 (0.44) MASP2CTSLITGB1ITGA4KLKB1

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-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
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