SCHEMBL9468466

SCHEMBL9468466

N#Cc1cnn2c1NCC=C2c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
CTSS P25774 4/20 0.40
CTSK P43235 3/20 0.39
GRIN1 Q05586 3/20 0.38
GRIN2B Q13224 3/20 0.38
HTR2C P28335 2/20 0.38
KDM5A P29375 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IDO1 P14902 1/20 0.36
ELANE P08246 1/20 0.36
SCN2A Q99250 1/20 0.36
HRH1 P35367 1/20 0.36
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL10555308 0.85 CHUK (0.36) KDM4EHTR2CNR3C1HPGDIDO1
SCHEMBL9468851 0.83 HPGD (0.41) KDM4EGRIN1GRIN2BHTR2CNR3C1
SCHEMBL10461071 0.83 RPS6KB1 (0.40) KDM4EGRIN1GRIN2BHTR2CNR3C1
SCHEMBL10552707 0.80 LRRK2 (0.43) KDM4EGRIN1GRIN2BPGRALDH1A1
SCHEMBL9870769 0.79 KDM4E (0.43) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL8337425 0.78 KDM4E (0.52) KDM4EGRIN1GRIN2BNR3C1PGR
SCHEMBL10557157 0.78 POLB (0.44) KDM4ECTSSCTSKHTR2CALDH1A1
SCHEMBL10556649 0.77 KDM4E (0.47) KDM4ECTSSCTSKKDM5ANR3C1
SCHEMBL10690360 0.77 KDM4E (0.47) KDM4ECTSSCTSKGRIN1GRIN2B
SCHEMBL10552148 0.76 HTR2C (0.44) KDM4EHTR2CNR3C1PGRALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5219857-A Method of treating cognitive and related neural behavioral problems AMERICAN CYANAMID COMPANY (US) 1993-06-15 US disclosed
US-5126340-A Antidepressants AMERICAN CYANAMID COMPANY (US) 1992-06-30 US disclosed
US-4963553-A TREATING COGNITIVE AND NEURAL BEHAVIORAL PROBLEMS IN MAMMALS AMERICAN CYANAMID CO. (US) 1990-10-16 US disclosed
US-4847256-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1989-07-11 US disclosed
EP-0264773-A1 4,5-dihydro and 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1988-04-27 EP disclosed