SCHEMBL6890974

SCHEMBL6890974

NC(=O)C1(c2ccccc2)N=c2ccccc2=N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
BLM P54132 2/20 0.37
PMP22 Q01453 2/20 0.37
HSD17B10 Q99714 2/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
PARP1 P09874 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BACE1 P56817 3/20 0.35
BACE2 Q9Y5Z0 2/20 0.35
AKR1C1 Q04828 1/20 0.34
REN P00797 1/20 0.33
APP P05067 1/20 0.33
MAOB P27338 1/20 0.32
LMNA P02545 4/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL28956318 0.83 AKR1C1 (0.41) TDP1BLMPMP22TSHRBACE1
SCHEMBL1844160 0.80 F2 (0.37) BLMRECQLBACE1BACE2KMT2A
SCHEMBL28215026 0.72 TDP1 (0.33) MAPTTDP1BLMPMP22HSD17B10
SCHEMBL15136482 0.68 MAPT (0.36) MAPTTDP1BLMPMP22HSD17B10
SCHEMBL1284435 0.67 KMT2A (0.32) MAPTTDP1BLMPMP22POLB
SCHEMBL11264366 0.66 LMNA (0.38) MAPTBLMPMP22BACE1BACE2
SCHEMBL11093099 0.64 CTSD (0.34) MAPTTDP1BLMPMP22HSD17B10
SCHEMBL3969182 0.64 BACE1 (0.34) MAPTBLMPMP22BACE1BACE2
SCHEMBL2722547 0.64 AKR1C1 (0.57) AKR1C1KMT2AHDAC4THRBCYP2C9
SCHEMBL501923 0.64 AKR1C1 (0.57) AKR1C1KMT2AHDAC4THRBCYP2C9

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-1391457-A1 Substituted 2-Phenylbenzimidazoles and their use as PARP inhibitors Abbott GmbH & Co. KG (DE) 2004-02-25 EP disclosed