SCHEMBL18657458

SCHEMBL18657458

CS(=O)(=O)N1CCCC(O)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.50
TP53 P04637 1/20 0.47
TSHR P16473 2/20 0.44
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
FABP6 P51161 1/20 0.42
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
CYP2C19 P33261 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL1773955 0.91 TP53 (0.53) HSD11B1TP53TSHRALDH1A1SMN1; SMN2
SCHEMBL22644496 0.85 TSHR (0.53) HSD11B1TP53TSHRALDH1A1KDM4E
SCHEMBL5371884 0.85 TSHR (0.53) HSD11B1TP53TSHRALDH1A1KDM4E
SCHEMBL16896689 0.80 TP53 (0.47) HSD11B1TP53TSHRALDH1A1SMN1; SMN2
SCHEMBL3313080 0.80 TP53 (0.47) HSD11B1TP53TSHRALDH1A1SMN1; SMN2
SCHEMBL16896711 0.80 TP53 (0.47) HSD11B1TP53TSHRALDH1A1SMN1; SMN2
SCHEMBL14543727 0.77 KMT2A (0.52) TP53TSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL13565718 0.76 ALDH1A1 (0.55) TP53TSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL7955480 0.76 POLB (0.56) HSD11B1TSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL17804391 0.75 TP53 (0.43) TP53TSHRALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394068-A1 TDO2 INHIBITORS Genentech, Inc. (US) 2018-10-31 EP claimed
WO-2017107979-A1 TDO2 INHIBITORS GENENTECH, INC. (US) 2017-06-29 WO claimed
EP-3394068-B1 TDO2 INHIBITORS GENENTECH INC (US) 2024-09-11 EP disclosed
CN-110072864-B TDO2 inhibitors 基因泰克公司 2022-05-27 CN disclosed
EP-3394068-A1 TDO2 INHIBITORS Genentech, Inc. (US) 2018-10-31 EP disclosed
WO-2017107979-A1 TDO2 INHIBITORS GENENTECH, INC. (US) 2017-06-29 WO disclosed
EP-3144292-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD (US) 2017-03-22 EP disclosed