SCHEMBL25427265

SCHEMBL25427265

N#Cc1ccc2ccn(Cc3ccc(CNC(=O)O)cc3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.67
▸ KDM4E B2RXH2 4/20 0.67
▸ TSHR P16473 4/20 0.67
▸ HSD17B10 Q99714 4/20 0.67
▸ HPGD P15428 3/20 0.67
▸ GLA P06280 1/20 0.67
▸ HTT P42858 1/20 0.67
▸ USP2 O75604 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ APP P05067 3/20 0.45
▸ SNCA P37840 3/20 0.45
▸ CCR9 P51686 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ F10 P00742 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ HDAC8 Q9BY41 3/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC10 Q969S8 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42

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
SCHEMBL25426301 0.90 ALDH1A1 (0.66) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29208475 0.84 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL25425543 0.81 TSHR (0.49) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL6085414 0.79 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL14852224 0.78 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29208411 0.78 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL1695664 0.76 LOXL2 (0.57) TSHRHTTKLKB1KLK1EPHX2
SCHEMBL14632407 0.75 ALDH1A1 (0.65) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL24071313 0.75 HDAC8 (0.57) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL18002722 0.75 L3MBTL1 (0.45) ALDH1A1KDM4ETSHRHSD17B10HPGD

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-4204808-A1 TARGET ENGAGEMENT ASSAY FOR RAS PROTEINS Promega Corporation (US) 2023-07-05 — — EP disclosed
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