SCHEMBL9645974

SCHEMBL9645974

O=c1oc2cccnc2n1CCCCCBr

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9644857 1.00 KDM4E (0.53) KDM4EALDH1A1NPSR1TSHRUSP2
SCHEMBL9270572 0.99 KDM4E (0.54) KDM4EALDH1A1NPSR1TSHRUSP2
SCHEMBL9590027 0.94 KDM4E (0.56) KDM4EALDH1A1NPSR1TSHRUSP2
SCHEMBL9589803 0.88 KDM4E (0.58) KDM4EALDH1A1NPSR1TSHRUSP2
SCHEMBL1148794 0.81 MAPK1 (0.52) KDM4EALDH1A1NPSR1HPGDSMN1; SMN2
SCHEMBL9644908 0.80 KDM4E (0.53) KDM4EALDH1A1
SCHEMBL9645830 0.80 KDM4E (0.53) KDM4EALDH1A1
SCHEMBL9588299 0.80 KDM4E (0.58) KDM4EALDH1A1NPSR1TSHRUSP2
SCHEMBL9647620 0.80 KDM4E (0.58) KDM4EALDH1A1NPSR1TSHRUSP2
SCHEMBL9645855 0.78 KDM4E (0.54) KDM4EALDH1A1

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
US-5084456-A Analgesics SCIENCE ET ORGANISATION (FR) 1992-01-28 US disclosed