SCHEMBL9588299

SCHEMBL9588299

NCCn1c(=O)oc2cccnc21

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 4/20 0.58
NPSR1 Q6W5P4 1/20 0.41
HTR6 P50406 3/20 0.40
MAPK1 P28482 3/20 0.40
TSHR P16473 3/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL9589803 0.84 KDM4E (0.58) KDM4EALDH1A1NPSR1MAPK1TSHR
SCHEMBL9647620 0.84 KDM4E (0.58) KDM4EALDH1A1NPSR1MAPK1TSHR
SCHEMBL9590027 0.82 KDM4E (0.56) KDM4EALDH1A1NPSR1TSHRHPGD
SCHEMBL9589866 0.81 KDM4E (0.58) KDM4EALDH1A1NPSR1HTR6MAPK1
SCHEMBL9270572 0.81 KDM4E (0.54) KDM4EALDH1A1NPSR1TSHRHPGD
SCHEMBL1148794 0.80 MAPK1 (0.52) KDM4EALDH1A1NPSR1MAPK1HPGD
SCHEMBL9592310 0.80 KDM4E (0.53) KDM4EALDH1A1
SCHEMBL9644857 0.80 KDM4E (0.53) KDM4EALDH1A1NPSR1TSHRHPGD
SCHEMBL9645974 0.80 KDM4E (0.53) KDM4EALDH1A1NPSR1TSHRHPGD
SCHEMBL9589962 0.79 KDM4E (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5190960-A Analgesics ADIR ET COMPAGNIE (FR) 1993-03-02 US disclosed
US-5155116-A Analgesics devoid of antiinflammatory activity ADIR ET COMPAGNIE (FR) 1992-10-13 US disclosed