SCHEMBL9525554

SCHEMBL9525554

O=C(NCCN1CCCCC1)c1nnc2ccccc2c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47
HSD17B10 Q99714 2/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLR1A O95602 2/20 0.45
APP P05067 1/20 0.45
WNT1 P04628 1/20 0.45
DYRK1A Q13627 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
CYP2C19 P33261 1/20 0.44

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 0.99 KDM4E (0.52) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL9524740 0.89 USP2 (0.53) KDM4EMEN1KMT2APOLBHSD17B10
SCHEMBL9525651 0.88 SMN1; SMN2 (0.60) KDM4ELMNAMEN1KMT2ACYP1A2
SCHEMBL20874483 0.82 LMNA (0.50) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL20606368 0.81 KDM4E (0.48) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL9524962 0.79 CACNA1B (0.51) POLR1AHRH3
SCHEMBL9527401 0.76 TSHR (0.51) KDM4EMAPTTSHRALDH1A1HPGD
SCHEMBL20606349 0.76 SMN1; SMN2 (0.53) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL20874496 0.76 LMNA (0.48) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL9525892 0.74 NAAA (0.52) KDM4EPOLBHSD17B10TSHRALDH1A1

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