SCHEMBL27865735

SCHEMBL27865735

CCCCN(Cl)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
PSEN1 P49768 2/20 0.50
PSEN2 P49810 2/20 0.50
APH1B Q8WW43 2/20 0.50
NCSTN Q92542 2/20 0.50
APH1A Q96BI3 2/20 0.50
PSENEN Q9NZ42 2/20 0.50
MCHR1 Q99705 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
CNR2 P34972 5/20 0.47
MAPT P10636 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
GLA P06280 1/20 0.44
ESR1 P03372 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 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
SCHEMBL11779484 0.89 PSEN1 (0.48) MEN1KMT2AATMPSEN1PSEN2
SCHEMBL6688621 0.84 TDP1 (0.69) MEN1KMT2AATMTDP1CNR2
SCHEMBL3694171 0.82 CNR2 (0.58) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL9510936 0.82 MAPT (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
Water SCHEMBL11781089 0.81 GLA (0.43) MEN1KMT2AATMMCHR1TDP1
SCHEMBL12169294 0.81 LMNA (0.52) MEN1KMT2AATMPSEN1PSEN2
SCHEMBL2469274 0.79 KDM4E (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14229013 0.79 CA9 (0.61) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL11707759 0.78 MCHR1 (0.49) MEN1KMT2AATMPSEN1PSEN2
SCHEMBL11751198 0.78 MCHR1 (0.49) MEN1KMT2AATMPSEN1PSEN2

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
CN-102617512-B Method for preparation of tetrahydropyrrole UNIV WUHAN 2013-11-13 CN disclosed
CN-102617512-A Method for preparation of tetrahydropyrrole UNIV WUHAN 2012-08-01 CN disclosed