SCHEMBL9524747

SCHEMBL9524747

CN(C(=O)c1nnc2ccc(F)cc2c1O)c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
POLQ O75417 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
DHODH Q02127 5/20 0.35
GRM1 Q13255 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALOX5AP P20292 1/20 0.34
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
AGTR1 P30556 1/20 0.33
OPRK1 P41145 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LIPE Q05469 1/20 0.33

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
SCHEMBL9527710 0.87 KMT2A (0.37) ALDH1A1POLQKDM4ELMNAALOX5AP
SCHEMBL9527340 0.86 PYGL (0.40) POLQLMNATDP1POLBMAPT
SCHEMBL9527463 0.86 LCK (0.38) POLQALOX5APNPC1POLBHTT
SCHEMBL9524768 0.84 TRPM8 (0.40) ALDH1A1KDM4ELMNANPC1POLB
SCHEMBL9527689 0.74 NPC1 (0.46) ALDH1A1KDM4ELMNADHODHNPC1
SCHEMBL9524841 0.74 TRPM8 (0.40) ALDH1A1POLQKDM4ELMNATDP1
SCHEMBL9524293 0.69 TP53 (0.46) DHODHNPC1POLBHTTRAB9A
SCHEMBL24896231 0.68 AR (0.51) MAPT
SCHEMBL30220515 0.68 AR (0.51) MAPT
SCHEMBL24896447 0.68 ALDH1A1 (0.41) ALDH1A1GRM1NPC1MAPTPKM

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