SCHEMBL9504097

SCHEMBL9504097

Cc1ccccc1CNC(COCC(C)C)CN1CCCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP2D6 P10635 2/20 0.42
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 2/20 0.40
TP53 P04637 1/20 0.40
LPAR1 Q92633 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
KMT2A Q03164 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL9502176 0.96 KDM4E (0.48) KDM4ETDP1CYP2D6PKMTP53
SCHEMBL9502751 0.86 KDM4E (0.39) KDM4ETDP1CYP2D6USP2TSHR
SCHEMBL9501107 0.84 TSHR (0.48) KDM4ETDP1USP2TSHRL3MBTL1
SCHEMBL10518194 0.78 LMNA (0.46) KDM4ETDP1KMT2AALDH1A1LMNA
SCHEMBL9502822 0.77 LMNA (0.50) KDM4EKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL9502192 0.77 TDP1 (0.43) KDM4ETDP1CYP2D6USP2L3MBTL1
SCHEMBL9501073 0.74 GAA (0.59) CYP2D6PKMKMT2AALDH1A1LMNA
SCHEMBL9504119 0.73 CYP2D6 (0.44) KDM4ECYP2D6USP2CYP3A4TSHR
SCHEMBL12726868 0.70 CYP2D6 (0.76) CYP2D6USP2CYP3A4TSHRCYP2C19
SCHEMBL9502196 0.68 CYP2D6 (0.47) KDM4ECYP2D6L3MBTL1PKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330910-B1 PROPANE DERIVATIVES KOWA COMPANY, LTD. (JP) 1993-05-12 EP claimed
US-4960883-A Cardiovascular disorders KOWA COMPANY, LTD. (JP) 1990-10-02 US claimed
EP-0330910-B1 PROPANE DERIVATIVES KOWA COMPANY, LTD. (JP) 1993-05-12 EP disclosed
US-4960883-A Cardiovascular disorders KOWA COMPANY, LTD. (JP) 1990-10-02 US disclosed
EP-0330910-A1 Propane derivatives KOWA COMPANY, LTD. (JP) 1989-09-06 EP disclosed