SCHEMBL9524829

SCHEMBL9524829

CN(C)CCCNC(=O)c1nnc2ccccc2c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
TOP2A P11388 2/20 0.50
ALOX15 P16050 1/20 0.48
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 2/20 0.45
RAD52 P43351 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
SLC2A1 P11166 1/20 0.45
APOBEC3A P31941 1/20 0.45
RAB9A P51151 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
CYP1A2 P05177 1/20 0.44
PARP1 P09874 1/20 0.43
POLR1A O95602 1/20 0.42

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 0.92 RAD52 (0.49) HTTTOP2AKDM4EALDH1A1HPGD
SCHEMBL9527401 0.86 TSHR (0.51) HTTKDM4EALDH1A1HPGDNPC1
SCHEMBL9525682 0.84 NAAA (0.52) HTTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9525892 0.84 NAAA (0.52) HTTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9525642 0.82 KDM4E (0.51) HTTALOX15KDM4EALDH1A1HPGD
SCHEMBL9525228 0.80 HTT (0.47) HTTTOP2AALOX15KDM4EALDH1A1
SCHEMBL9523732 0.78 RAB9A (0.55) HTTALDH1A1KMT2ANPC1RAB9A
SCHEMBL16628741 0.77 HTT (0.61) HTTTOP2AALOX15KDM4EALDH1A1
SCHEMBL9525627 0.76 LCK (0.40) HTTKMT2APARP1POLR1AMEN1
SCHEMBL821644 0.76 EGLN1 (0.62)

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
EP-0277791-B1 CINNOLINE-CARBOXAMIDES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1993-06-02 EP claimed
EP-0277791-A2 Cinnoline-carboxamides and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-08-10 EP claimed
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