SCHEMBL8724326

SCHEMBL8724326

NCCc1cc2c(C(=O)O)cccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.46
PBRM1 Q86U86 2/20 0.43
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
PARP1 P09874 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
RHEB Q15382 1/20 0.38
DHODH Q02127 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.37
PTPN1 P18031 1/20 0.37
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
MEN1 O00255 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36

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
SCHEMBL7425591 0.83 RHEB (0.47) PBRM1MTNR1AMTNR1BPARP1KDM4E
SCHEMBL19644194 0.81 PBRM1 (0.45) PBRM1MTNR1AMTNR1BPARP1KDM4E
SCHEMBL5694485 0.81 PBRM1 (0.45) PBRM1MTNR1AMTNR1BPARP1KDM4E
SCHEMBL10983500 0.80 CTSV (0.59) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10978966 0.80 CTSV (0.59) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10978475 0.80 CTSV (0.59) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30120739 0.78 HTR2C (0.45) MTNR1AMTNR1BHTR7HTR6CCNK
SCHEMBL17557251 0.76 GFER (0.38) PBRM1MTNR1AMTNR1BPARP1KDM4E
SCHEMBL11810213 0.74 DAO (0.46) MTNR1AMTNR1BHTR7HTR6CYP1A2
SCHEMBL29721596 0.74 KDM4E (0.59) PBRM1PARP1KDM4EALDH1A1NR4A1

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-5780498-A PEPTIDE DERIVATIVES FOR CARDIOVASCULAR AND BRAIN DISORDERS CIBA-GEIGY JAPAN LIMITED (JP) 1998-07-14 US disclosed