SCHEMBL9527700

SCHEMBL9527700

Nc1cccc(NC(=O)Oc2nnc3ccccc3c2O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 2/20 0.44
ALDH1A1 P00352 2/20 0.43
CFTR P13569 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
AHR P35869 1/20 0.39
PIM1 P11309 1/20 0.39
PTGS1 P23219 2/20 0.38
CYP1A2 P05177 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 0.86 HTT (0.43) ALDH1A1SMN1; SMN2MAPTKDM4ETHRB
SCHEMBL9525725 0.86 KMT2A (0.49) ALDH1A1KDM4EABCG2
SCHEMBL9527660 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTCYP1A2KDM4E
SCHEMBL9523908 0.86 HPGD (0.46) ALDH1A1MAPTHDAC6THRBRECQL
SCHEMBL9525178 0.86 NPC1 (0.43) ALDH1A1SMN1; SMN2MAPTCYP1A2KDM4E
SCHEMBL9525121 0.84 FLT3 (0.49) ALDH1A1SMN1; SMN2KDM4ETHRB
SCHEMBL9524899 0.83 MAPT (0.50) ALDH1A1MAPTKDM4E
SCHEMBL9524669 0.82 KMT2A (0.50) DDX3XALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL9524816 0.81 MEN1 (0.41) ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL9527795 0.80 POLB (0.44) ALDH1A1SMN1; SMN2MAPT

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