SCHEMBL6984750

SCHEMBL6984750

CN(C(=O)c1cccc2cccnc12)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
PARP1 P09874 1/20 0.54
ALDH1A1 P00352 5/20 0.54
POLB P06746 1/20 0.53
ALOX12 P18054 1/20 0.51
KDM4E B2RXH2 3/20 0.49
KMT2A Q03164 1/20 0.49
MAOB P27338 1/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDR P35968 1/20 0.43

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
SCHEMBL2143852 0.85 ALDH1A1 (0.62) LMNAL3MBTL1ALDH1A1POLBALOX12
SCHEMBL4961749 0.83 PARP1 (0.62) LMNAL3MBTL1PARP1ALDH1A1POLB
SCHEMBL15346225 0.80 LMNA (0.55) LMNAL3MBTL1ALDH1A1POLBKDM4E
SCHEMBL12300200 0.79 POLB (0.64) LMNAL3MBTL1ALDH1A1POLBKDM4E
SCHEMBL23360684 0.78 KMT2A (0.48) LMNAL3MBTL1ALDH1A1POLBKDM4E
SCHEMBL3447443 0.78 PARP1 (0.55) LMNAPARP1ALDH1A1ALOX12KDM4E
SCHEMBL4062166 0.78 PARP1 (0.64) LMNAL3MBTL1PARP1ALDH1A1POLB
SCHEMBL3922378 0.78 PARP1 (0.55) LMNAL3MBTL1PARP1ALDH1A1POLB
SCHEMBL9001638 0.77 POLB (0.75) LMNAL3MBTL1POLBKDM4EKMT2A
SCHEMBL16487052 0.77 KMT2A (0.53) LMNAL3MBTL1ALDH1A1POLBKDM4E

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-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO disclosed