SCHEMBL25343517

SCHEMBL25343517

[CH2]CN(Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 6/20 0.49
▸ TDO2 P48775 4/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KCNH2 Q12809 1/20 0.43
▸ GSTP1 P09211 7/20 0.40
▸ GSTM2 P28161 7/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MIF P14174 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
SCHEMBL25342264 0.86 IDO1 (0.47) IDO1TDO2MEN1KMT2AKCNH2
SCHEMBL31054006 0.80 GSTP1 (0.53) IDO1TDO2MEN1KMT2AKCNH2
SCHEMBL25342570 0.80 MEN1 (0.44) IDO1TDO2MEN1KMT2AKCNH2
SCHEMBL30521247 0.80 IDO1 (0.49) IDO1TDO2MEN1KMT2AKCNH2
SCHEMBL30521257 0.77 KCNH2 (0.41) IDO1TDO2MEN1KMT2AKCNH2
SCHEMBL1076589 0.74 MEN1 (0.60) IDO1MEN1KMT2AKCNH2GSTP1
SCHEMBL7463890 0.73 NSD2 (0.62) IDO1MEN1KMT2AKCNH2GSTP1
SCHEMBL7467184 0.73 MEN1 (0.56) IDO1MEN1KMT2AKCNH2GSTP1
SCHEMBL3505281 0.73 MEN1 (0.59) IDO1MEN1KMT2AKCNH2GSTP1
SCHEMBL12427044 0.73 MEN1 (0.47) IDO1TDO2MEN1KMT2AKCNH2

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-2023143494-A1 NEW PROTAC COMPOUND 甘李药业股份有限公司 2023-08-03 — — WO disclosed
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