SCHEMBL7654110

SCHEMBL7654110

Cc1nc(-c2ccc(NC(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)cc2)no1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.53
MAPT P10636 4/20 0.53
GAA P10253 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
ALOX12 P18054 1/20 0.52
HTT P42858 1/20 0.52
ATM Q13315 1/20 0.51
PKM P14618 6/20 0.50
POLB P06746 1/20 0.50
DGAT1 O75907 1/20 0.50
KDM4E B2RXH2 1/20 0.49
RAB9A P51151 1/20 0.48

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
SCHEMBL7648189 0.91 LMNA (0.53) LMNAMAPTGAASMN1; SMN2KMT2A
SCHEMBL7071592 0.88 LMNA (0.50) LMNAMAPTGAASMN1; SMN2KMT2A
SCHEMBL7075993 0.87 ATM (0.66) LMNAMAPTGAASMN1; SMN2KMT2A
SCHEMBL7655621 0.86 LMNA (0.57) LMNAMAPTGAASMN1; SMN2KMT2A
SCHEMBL7069977 0.84 PKM (0.55) LMNAGAASMN1; SMN2KMT2AALDH1A1
SCHEMBL7649347 0.83 LMNA (0.53) LMNAMAPTGAAKMT2APKM
SCHEMBL7652755 0.82 MAPT (0.59) LMNAMAPTGAAKMT2AALDH1A1
SCHEMBL7074028 0.82 MAPT (0.62) LMNAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL1660858 0.80 MAPT (0.61) LMNAMAPTGAASMN1; SMN2KMT2A
SCHEMBL7074071 0.79 KDM4E (0.56) LMNAMAPTGAASMN1; SMN2KMT2A

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
US-6492368-B1 Benzamidine derivatives as factor XA inhibitors MERCK PATENT GMBH (DE) 2002-12-10 US disclosed