SCHEMBL5303162

SCHEMBL5303162

O=C(c1ccc(C2=CC=CNN2)cc1)N1CCN(S(=O)(=O)c2ccc3c(Br)n[nH]c3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.46
ABL1 P00519 3/20 0.44
BCR P11274 3/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL5327745 0.80 MAPT (0.52) F10ABL1BCRMAPTLMNA
SCHEMBL5326485 0.70 ALDH1A1 (0.48) F10ABL1BCRMAPTLMNA
SCHEMBL5330111 0.68 ATM (0.54) F10MAPTLMNAMEN1ALDH1A1
SCHEMBL5323222 0.67 L3MBTL1 (0.47) F10MAPTLMNAMEN1USP2
SCHEMBL5327658 0.64 L3MBTL1 (0.42) F10MAPTLMNAMEN1ALDH1A1
SCHEMBL19639911 0.64 PARP1 (0.42) MAPTLMNAMEN1ALDH1A1KMT2A
SCHEMBL5324555 0.64 ATM (0.63) F10LMNAGAAATM
SCHEMBL5323125 0.64 HRH3 (0.51) F10MAPTLMNAGAATHRB
SCHEMBL6152664 0.64 F10 (0.65) F10MAPTLMNAALDH1A1THRB
SCHEMBL5326524 0.64 L3MBTL1 (0.54) F10MAPTLMNAMEN1USP2

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
WO-2007008145-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO disclosed