SCHEMBL9527795

SCHEMBL9527795

O=C(Nc1ccncc1)Oc1nnc2ccccc2c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
JAK2 O60674 1/20 0.40
TYK2 P29597 1/20 0.40
MDM2 Q00987 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DNMT1 P26358 1/20 0.39
DNMT3A Q9Y6K1 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
BCHE P06276 1/20 0.37
HTT P42858 3/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL9525680 0.91 HTT (0.43) ALDH1A1RAB9ABCHEHTTMAPT
SCHEMBL9524812 0.86 RAB9A (0.47) HIF1ALMNAALDH1A1NPC1RAB9A
SCHEMBL9524999 0.86 RAB9A (0.44) POLBLMNAALDH1A1NPC1RAB9A
SCHEMBL9524816 0.82 MEN1 (0.41) NPSR1LMNAALDH1A1RAB9AHTT
SCHEMBL9523603 0.81 NPC1 (0.45) HIF1ALMNAALDH1A1NPC1RAB9A
SCHEMBL9525725 0.80 KMT2A (0.49) LMNAALDH1A1NPC1RAB9A
SCHEMBL9523908 0.80 HPGD (0.46) NPSR1TDP1HIF1ALMNAALDH1A1
SCHEMBL9527700 0.80 DDX3X (0.44) ALDH1A1MAPTSMN1; SMN2
SCHEMBL9527660 0.80 ALDH1A1 (0.50) CYP3A4ALDH1A1NPC1RAB9AMAPK1
SCHEMBL9525178 0.80 NPC1 (0.43) POLBTAAR1TDP1CYP2C9LMNA

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 1 patent. 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 claimed