SCHEMBL24129095

SCHEMBL24129095

Cc1c(Cl)nc2ncnn2c1N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX2 Q02962 1/20 0.47
▸ ALDH1A1 P00352 8/20 0.46
▸ LMNA P02545 5/20 0.46
▸ TSHR P16473 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ USP2 O75604 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ SMN1; SMN2 Q16637 6/20 0.43
▸ MAPT P10636 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ KDM4E B2RXH2 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ ESR2 Q92731 1/20 0.39

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
SCHEMBL24129343 0.84 PAX2 (0.63) PAX2ALDH1A1LMNATSHRMEN1
SCHEMBL24129395 0.83 PAX2 (0.61) PAX2ALDH1A1LMNATSHRMEN1
SCHEMBL24129236 0.81 PAX2 (0.63) PAX2ALDH1A1LMNATSHRMEN1
SCHEMBL24129190 0.79 PAX2 (0.45) PAX2ALDH1A1LMNATSHRMEN1
SCHEMBL24129416 0.77 SMN1; SMN2 (0.50) PAX2ALDH1A1LMNATSHRMEN1
SCHEMBL25616299 0.76 PAX2 (0.39) PAX2ALDH1A1LMNATSHRMEN1
SCHEMBL25616316 0.76 PAX2 (0.39) PAX2ALDH1A1LMNATSHRMEN1
SCHEMBL8686955 0.76 ALDH1A1 (0.47) ALDH1A1LMNATSHRNPSR1HSD17B10
SCHEMBL24129361 0.75 SMN1; SMN2 (0.48) PAX2ALDH1A1LMNATSHRMEN1
SCHEMBL7122700 0.75 SMN1; SMN2 (0.38) ALDH1A1LMNATSHRHSD17B10USP2

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-2021257614-A1 HETEROCYCLIC INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-12-23 — — WO disclosed
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