SCHEMBL28126262

SCHEMBL28126262

Cc1ccc(S(=O)(=O)N2CCCc3ccc(Br)cc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.59
RORC P51449 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ATM Q13315 1/20 0.53
TP53 P04637 7/20 0.53
MAPT P10636 7/20 0.53
LMNA P02545 2/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
POLB P06746 1/20 0.49

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
SCHEMBL13302143 0.92 MAPT (0.54) HTR6RORCMEN1KMT2AMAPT
SCHEMBL18363030 0.90 TP53 (0.62) HTR6MEN1KMT2ATP53MAPT
SCHEMBL772020 0.87 RORC (0.61) HTR6RORCMEN1KMT2A
SCHEMBL26005660 0.81 MAPT (0.63) HTR6TP53MAPTLMNACYP11B1
SCHEMBL18363031 0.81 KMT2A (0.73) MEN1KMT2AATMTP53MAPT
SCHEMBL10178084 0.80 HTR6 (0.54) HTR6RORCMEN1KMT2AATM
SCHEMBL31456270 0.79 MEN1 (0.62) RORCMEN1KMT2ATP53MAPT
SCHEMBL16794469 0.78 HTR6 (0.50) HTR6MEN1KMT2ATP53MAPT
SCHEMBL29676616 0.78 HTR6 (0.50) HTR6MEN1KMT2ATP53MAPT
SCHEMBL12744009 0.78 MAPT (0.58) RORCMEN1KMT2AATMTP53

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
CN-106459002-A Biaryl compounds useful in the treatment of human oncological, neurological and immunological diseases 比奥根MA公司 2017-02-22 CN disclosed