SCHEMBL9527385

SCHEMBL9527385

Cc1cc(C)c2nnc(C(=O)NCc3ccccc3)c(O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HPGD P15428 3/20 0.52
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 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
SCHEMBL9524520 0.82 LMNA (0.51) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL9524826 0.81 NPC1 (0.47) KMT2AHPGDALDH1A1MAPTLMNA
SCHEMBL9524970 0.79 HSP90AA1 (0.47) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL9527944 0.77 NSD2 (0.50) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL9525735 0.77 EGLN1 (0.49) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL9525648 0.75 RIPK1 (0.47) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL9523469 0.75 EGLN1 (0.45) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL9525718 0.72 TP53 (0.47) MEN1KMT2AHPGDCYP1A2CYP2C19
SCHEMBL9524641 0.72 ALDH1A1 (0.45) KMT2AALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL9524438 0.72 MEN1 (0.50) MEN1KMT2AHPGDLMNACYP2D6

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