SCHEMBL8538541

SCHEMBL8538541

COc1ccc(-n2nnnc2S(C)(=O)=O)cc1C1OCCO1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
LMNA P02545 5/20 0.53
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
KMT2A Q03164 3/20 0.53
HPGD P15428 3/20 0.53
HTT P42858 3/20 0.53
NPSR1 Q6W5P4 3/20 0.53
S1PR4 O95977 2/20 0.53
S1PR1 P21453 2/20 0.53
RAB9A P51151 2/20 0.53
TP53 P04637 3/20 0.46
TACR1 P25103 5/20 0.45
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGS2 P35354 1/20 0.37
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL9029020 0.92 ALDH1A1 (0.46) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL8540447 0.83 TACR1 (0.42) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL8539280 0.82 TACR1 (0.42) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL8541413 0.81 POLB (0.46) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL8531284 0.75 ALDH1A1 (0.59) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL7490694 0.74 LMNA (0.57) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL6998524 0.74 ALDH1A1 (0.57) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL8539528 0.72 KMT2A (0.50) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL21467805 0.70 ALDH1A1 (1.00) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL13678690 0.69 MEN1 (0.47) ALDH1A1LMNAMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0720609-B1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LTD (GB) 1998-11-11 EP disclosed
US-5703240-A ANALGESICS; ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-30 US disclosed