SCHEMBL8909374

SCHEMBL8909374

C[C@@H](N)CS(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.56
HSD11B1 P28845 4/20 0.44
SLC6A2 P23975 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
PLA2G7 Q13093 1/20 0.43

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
SCHEMBL8280044 0.84 PSIP1 (0.52) PSIP1HSD11B1CA12CA1CA2
SCHEMBL778303 0.83 PSIP1 (0.60) PSIP1HSD11B1POLBLARS1ALDH1A1
SCHEMBL17624545 0.80 KMT2A (0.49) ALDH1A1SMN1; SMN2GBA1
SCHEMBL17624542 0.80 KMT2A (0.49) ALDH1A1SMN1; SMN2GBA1
SCHEMBL8910619 0.79 PSIP1 (0.56) PSIP1HSD11B1POLBMMP13ALDH1A1
SCHEMBL1972951 0.79 PSIP1 (0.56) PSIP1HSD11B1POLBMMP13ALDH1A1
SCHEMBL9426107 0.79 PSIP1 (0.56) PSIP1HSD11B1POLBALDH1A1TP53
SCHEMBL7724605 0.79 PSIP1 (0.56) PSIP1HSD11B1POLBALDH1A1TP53
SCHEMBL27596821 0.79 PSIP1 (0.56) PSIP1HSD11B1POLBMMP13ALDH1A1
SCHEMBL27838489 0.79 HSD11B1 (0.50) PSIP1HSD11B1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5672588-A Purine derivatives NOVO NORDISK A/S (DK) 1997-09-30 US disclosed
EP-0603348-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1994-06-29 EP disclosed
WO-1993023418-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1993-11-25 WO disclosed