SCHEMBL20002229

SCHEMBL20002229

O=C(N1CCCC(O)C1)N1CCC([S+]([O-])c2ccc(F)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RORC P51449 2/20 0.37
APOL1 O14791 1/20 0.37
KCNK3 O14649 1/20 0.37
HTR7 P34969 1/20 0.36
GRM3 Q14832 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 2/20 0.34
GFER P55789 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
SCHEMBL20002250 0.86 MAPT (0.48) MEN1KMT2AALDH1A1RORCGRM3
SCHEMBL20002341 0.86 MAPT (0.48) MEN1KMT2AALDH1A1RORCGRM3
SCHEMBL20002969 0.82 NOTUM (0.45) KMT2AALDH1A1SMN1; SMN2RORCRAB9A
SCHEMBL20002958 0.82 NOTUM (0.48) KMT2AALDH1A1SMN1; SMN2RORCMAPT
SCHEMBL20002167 0.82 KDM1A (0.40) ALDH1A1SMN1; SMN2RORCNPC1RAB9A
SCHEMBL20003049 0.82 AKR1C3 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL20002957 0.82 NOTUM (0.48) KMT2AALDH1A1SMN1; SMN2RORCMAPT
SCHEMBL20002280 0.82 TACR1 (0.40) RORC
SCHEMBL20002669 0.82 NOTUM (0.45) KMT2AALDH1A1SMN1; SMN2RORCRAB9A
SCHEMBL20002664 0.81 TSHR (0.41) KMT2ASMN1; SMN2NPC1RAB9AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3092229-B1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP disclosed