SCHEMBL31301969

SCHEMBL31301969

CCCCc1cnc2c(O)ccc(Cl)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
NFKB1 P19838 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
BRD4 O60885 1/20 0.43
HSP90AA1 P07900 1/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40

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
SCHEMBL31301909 0.91 KDM4E (0.45) NPC1RAB9ANFKB1SMN1; SMN2NFKB2
SCHEMBL31301800 0.85 KDM4E (0.47) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL31301815 0.78 KDM4E (0.44) NPC1RAB9ANFKB1MAPK1TP53
SCHEMBL11726118 0.72 NPC1 (0.41) NPC1RAB9ANFKB1SMN1; SMN2NFKB2
SCHEMBL31301943 0.70 MAPT (0.47) SMN1; SMN2GAAMAPTKDM4ELMNA
SCHEMBL31301792 0.70 KDM4E (0.47) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL31026571 0.70 NPC1 (0.45) NPC1RAB9ANFKB1SMN1; SMN2NFKB2
SCHEMBL574235 0.70 IGF1R (0.58) NPC1RAB9AMAPK1CA1CA2
SCHEMBL12430744 0.70 RAB9A (0.42) NPC1RAB9ANFKB1SMN1; SMN2NFKB2
SCHEMBL7043349 0.69 KDM4E (0.53) NPC1RAB9ASMN1; SMN2TP53MAPT

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
CN-119390735-A Hydroxyquinoline coordinated catalyst, preparation method, composite catalyst and application 上海元革新材料科技有限公司 2025-02-07 CN disclosed