SCHEMBL9525642

SCHEMBL9525642

CCN(CC)CCNC(=O)c1nnc2ccccc2c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.51
ALDH1A1 P00352 8/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 4/20 0.49
LMNA P02545 4/20 0.49
GAA P10253 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
POLR1A O95602 1/20 0.49
ABCB11 O95342 1/20 0.49
SCN1A P35498 1/20 0.49
OPRK1 P41145 1/20 0.49
KCNH2 Q12809 1/20 0.49
CACNA1C Q13936 1/20 0.49
SCN5A Q14524 1/20 0.49
GHSR Q92847 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
ALOX15 P16050 2/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL9524590 0.87 RAD52 (0.49) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL9527401 0.83 TSHR (0.51) KDM4EALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL9524829 0.82 HTT (0.56) KDM4EALDH1A1HPGDCYP1A2POLR1A
SCHEMBL9525682 0.81 NAAA (0.52) KDM4EALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL9525892 0.81 NAAA (0.52) KDM4EALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL9523732 0.78 RAB9A (0.55) ALDH1A1SMN1; SMN2LMNAGAAHTT
SCHEMBL821644 0.76 EGLN1 (0.62)
SCHEMBL9527944 0.76 NSD2 (0.50) KDM4EALDH1A1GAAEGFRMAPT
SCHEMBL31372088 0.76 EGLN1 (0.62)
SCHEMBL9524740 0.75 USP2 (0.53) KDM4EALDH1A1SMN1; SMN2HPGDPOLR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277791-B1 CINNOLINE-CARBOXAMIDES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1993-06-02 EP disclosed
US-4826837-A IMMUNOMODULATORS FARMITALIA CARLO ERBA S.R.L. (IT) 1989-05-02 US disclosed
EP-0277791-A2 Cinnoline-carboxamides and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-08-10 EP disclosed