SCHEMBL9524841

SCHEMBL9524841

CN(C(=O)c1nnc2c(Cl)cccc2c1O)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.40
KDM4E B2RXH2 4/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HSP90AA1 P07900 2/20 0.35
OPRK1 P41145 2/20 0.35
HTT P42858 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALOX15B O15296 1/20 0.35
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
ALOX5 P09917 1/20 0.35
MMP9 P14780 1/20 0.35

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
SCHEMBL9527463 0.82 LCK (0.38) GAAMEN1KMT2AHTTTP53
SCHEMBL9527340 0.78 PYGL (0.40) SMN1; SMN2MAPTMEN1KMT2ATDP1
SCHEMBL9527710 0.74 KMT2A (0.37) KDM4EGAASMN1; SMN2MAPTALDH1A1
SCHEMBL9525440 0.74 NPC1 (0.49) KDM4ESMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL9524747 0.74 ALDH1A1 (0.37) KDM4ESMN1; SMN2MAPTALDH1A1OPRK1
SCHEMBL9524768 0.72 TRPM8 (0.40) TRPM8KDM4ESMN1; SMN2MAPTALDH1A1
Water SCHEMBL2493601 0.71 HAVCR2 (0.43) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL9527884 0.68 POLB (0.45) KDM4ESMN1; SMN2MAPTMEN1KMT2A
SCHEMBL10642767 0.67 RIPK1 (0.43) KDM4ESMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL14844650 0.66 LIPE (0.40) MEN1KMT2AHTTLIPECYP2D6

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