SCHEMBL25878621

SCHEMBL25878621

CN1CCC(NC(=O)c2cccc(-c3cn4ccccc4n3)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
NPC1 O15118 2/20 0.57
KDM4E B2RXH2 9/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 3/20 0.57
POLB P06746 3/20 0.57
GFER P55789 1/20 0.57
HPGDS O60760 4/20 0.56
ALDH1A1 P00352 9/20 0.55
HPGD P15428 3/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 2/20 0.55
ATR Q13535 1/20 0.54
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
JAK1 P23458 1/20 0.48
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL29484624 0.89 RAB9A (0.56) RAB9ANPC1KDM4ESMN1; SMN2LMNA
SCHEMBL25311588 0.89 RAB9A (0.56) RAB9ANPC1KDM4ESMN1; SMN2LMNA
SCHEMBL25883229 0.84 KDM4E (0.58) RAB9ANPC1KDM4ESMN1; SMN2LMNA
SCHEMBL29466302 0.81 KDM4E (0.52) RAB9ANPC1KDM4ESMN1; SMN2LMNA
SCHEMBL25312201 0.81 KDM4E (0.52) RAB9ANPC1KDM4ESMN1; SMN2LMNA
SCHEMBL25311960 0.81 KDM4E (0.56) RAB9ANPC1KDM4ESMN1; SMN2LMNA
SCHEMBL29466339 0.80 KDM4E (0.51) RAB9ANPC1KDM4ESMN1; SMN2LMNA
SCHEMBL14980322 0.80 DRD2 (0.63) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL25878977 0.80 KDM4E (0.55) RAB9ANPC1KDM4ESMN1; SMN2LMNA
SCHEMBL25883304 0.79 KDM4E (0.59) RAB9ANPC1KDM4ESMN1; SMN2LMNA

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-4215526-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-07-26 EP disclosed