SCHEMBL3769923

SCHEMBL3769923

Cc1cc(C)cc(Cc2csc(N3CCN(S(=O)(=O)c4cc(C(F)(F)F)ccc4Cl)CC3)n2)c1.O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCN(c2nc(Cc3ccc(F)c(Cl)c3)cs2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.41
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
HTR6 P50406 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
SOS1 Q07889 1/20 0.35
MAPT P10636 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ADRB2 P07550 1/20 0.35
GPR6 P46095 1/20 0.35
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3014834 0.94 ALDH1A1 (0.47) MEN1KMT2AALDH1A1TSHRATM
SCHEMBL3014399 0.94 MEN1 (0.48) MEN1KMT2AALDH1A1TSHRATM
SCHEMBL3015184 0.89 ALDH1A1 (0.47) MEN1KMT2AALDH1A1TSHRATM
SCHEMBL3013621 0.89 ALDH1A1 (0.48) MEN1KMT2AALDH1A1TSHRATM
SCHEMBL3012142 0.89 ALDH1A1 (0.48) MEN1KMT2AALDH1A1TSHRATM
SCHEMBL3010628 0.89 L3MBTL1 (0.50) MEN1KMT2AALDH1A1TSHRATM
SCHEMBL3652439 0.88 POLB (0.46) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL3002593 0.88 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRATM
SCHEMBL3004887 0.87 MEN1 (0.47) MEN1KMT2AALDH1A1TSHRATM
SCHEMBL3017970 0.87 MEN1 (0.50) MEN1KMT2AALDH1A1TSHRATM

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-2188272-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV Remynd (BE) 2010-05-26 EP disclosed
WO-2009019295-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-12 WO disclosed