SCHEMBL7114643

SCHEMBL7114643

Nc1c[c]cc(C(=O)NC(=O)c2ccc(Br)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.47
CA12 O43570 1/20 0.41
MMP2 P08253 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 2/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
MAPK1 P28482 1/20 0.38
UBE2N P61088 1/20 0.38

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
SCHEMBL5847309 0.80 CA1 (0.52) MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL7476649 0.78 HDAC6 (0.46) CA12KDM4E
SCHEMBL5846937 0.78 RAB9A (0.45) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL11068295 0.77 OGG1 (0.67) OGG1CA12MMP2CA14MEN1
SCHEMBL5847247 0.77 ALDH1A1 (0.33) POLBMAPTRAB9ANPC1ALDH1A1
SCHEMBL6740704 0.75 HDAC1 (0.51) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL5847488 0.74 HDAC1 (0.50) LMNAALDH1A1GAAKDM4ETDP1
SCHEMBL6744941 0.74 POLB (0.46) KMT2APOLBMAPTSMN1; SMN2RAB9A
SCHEMBL5846615 0.74 CTSD (0.45) MEN1KMT2APOLBMAPTLMNA
SCHEMBL5847814 0.73 ALDH1A1 (0.34) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351686-A2 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-10-15 EP claimed
WO-2002042272-A2 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2002-05-30 WO claimed