SCHEMBL3726019

SCHEMBL3726019

Cc1ccc(S(=O)(=O)NCCc2ccc3nc(Oc4ccc(OCC5CC5)cc4)ccc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP19A1 P11511 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL3719950 0.87 MTNR1A (0.38)
SCHEMBL3720218 0.81 DUT (0.43)
SCHEMBL3720107 0.80 MTNR1A (0.54) ALDH1A1HPGD
SCHEMBL3720199 0.80 MTNR1A (0.52) ALDH1A1SMN1; SMN2HPGDLMNAMAPT
SCHEMBL3720089 0.77 TEC (0.37)
SCHEMBL3726999 0.77 GPR4 (0.39) SMN1; SMN2
SCHEMBL3719580 0.75 ACACB (0.38)
SCHEMBL3720928 0.74 SCN7A (0.38)
SCHEMBL3717025 0.72 PARP10 (0.40)
SCHEMBL3727742 0.72 P2RX3 (0.40)

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
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO claimed
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed