SCHEMBL9524740

SCHEMBL9524740

CN1CCN(CCNC(=O)c2nnc3ccccc3c2O)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.53
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLR1A O95602 1/20 0.46
PARP1 P09874 1/20 0.45
DRD2 P14416 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL9523583 0.91 KDM4E (0.52) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9525554 0.89 KDM4E (0.54) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9525651 0.87 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EHPGDMEN1KMT2A
SCHEMBL9524962 0.78 CACNA1B (0.51) POLR1A
SCHEMBL9527401 0.78 TSHR (0.51) USP2HDAC2SMN1; SMN2KDM4EALDH1A1
SCHEMBL9524590 0.77 RAD52 (0.49) SMN1; SMN2KDM4EALDH1A1HPGDHTT
SCHEMBL6956940 0.76 HTR1A (0.66) SMN1; SMN2KDM4EALDH1A1DRD2
SCHEMBL9525682 0.76 NAAA (0.52) USP2SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL9525892 0.76 NAAA (0.52) USP2SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL9523732 0.75 RAB9A (0.55) HDAC2HDAC8HDAC6SMN1; SMN2ALDH1A1

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