SCHEMBL9879787

SCHEMBL9879787

CCCCCn1nc(C#N)cc1O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR1 P21554 4/20 0.36
CNR2 P34972 4/20 0.36
SLC9A1 P19634 3/20 0.34
SMPD1 P17405 3/20 0.34
MPO P05164 1/20 0.34
HCAR3 P49019 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL3441397 0.98 SMPD1 (0.36) KDM4EALDH1A1SMN1; SMN2CNR1CNR2
SCHEMBL2791515 0.82 KDM4E (0.36) KDM4EALDH1A1SLC9A1MPO
SCHEMBL5407208 0.80 KDM4E (0.34) KDM4EESR1
SCHEMBL1233484 0.78 KDM4E (0.38) KDM4EALDH1A1SLC9A1MPOESR1
SCHEMBL31287800 0.77 SLC9A1 (0.39) CNR1CNR2SLC9A1SMPD1MPO
SCHEMBL11500127 0.77 KDM4E (0.44) KDM4EALDH1A1CNR1CNR2SLC9A1
SCHEMBL28289238 0.77 GRK6 (0.35) KDM4EALDH1A1SLC9A1MPOESR1
SCHEMBL23533806 0.76 KDM4E (0.42) KDM4ECNR1CNR2SLC9A1SMPD1
SCHEMBL28833113 0.76 CNR1 (0.38) CNR1CNR2SLC9A1SMPD1MPO
SCHEMBL23402142 0.72 ESR1 (0.40) KDM4EALDH1A1SMN1; SMN2CNR1CNR2

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-5047550-A Pesticides RHONE-POULENC AG CO. (US) 1991-09-10 US disclosed