SCHEMBL16604397

SCHEMBL16604397

Cc1ncccc1-c1ccc(C[C@H](NC(=O)C2CCC(CNC(=O)OC(C)(C)C)CC2)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 6/20 0.61
▸ F11 P03951 5/20 0.61
▸ KMT2A Q03164 3/20 0.45
▸ ATM Q13315 2/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KLKB1 P03952 4/20 0.42
▸ PLAU P00749 1/20 0.41
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ MME P08473 1/20 0.39
▸ USP30 Q70CQ3 2/20 0.38
▸ ACACB O00763 1/20 0.38
▸ ACACA Q13085 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
SCHEMBL18100239 0.93 F11 (0.59) PLGF11KMT2AATMMEN1
SCHEMBL16604402 0.92 F11 (0.57) PLGF11KMT2AATMMEN1
SCHEMBL16604374 0.92 PLG (0.58) PLGF11KMT2AATMMEN1
SCHEMBL16609151 0.90 F11 (0.62) PLGF11KMT2AATMMEN1
SCHEMBL18020926 0.90 F11 (0.63) PLGF11KMT2AATMMEN1
SCHEMBL16604376 0.89 PLG (0.66) PLGF11KMT2AATMMEN1
SCHEMBL17986484 0.89 F11 (0.63) PLGF11KMT2AATMMEN1
SCHEMBL16609132 0.89 F11 (0.63) PLGF11KMT2AATMMEN1
SCHEMBL16604396 0.89 F11 (0.61) PLGF11KMT2AATMMEN1
SCHEMBL16607035 0.89 PLG (0.70) PLGF11KMT2AATMMEN1

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
WO-2015044172-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-02 — — WO disclosed
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