SCHEMBL23705448

SCHEMBL23705448

COCC(C)(O)Cc1cc(Br)ccn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 9/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AR P10275 2/20 0.32
NUDT1 P36639 1/20 0.31
CYP1A2 P05177 2/20 0.30
POLB P06746 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL23731421 0.83 SREBF2 (0.36) LNPEPKDM4EARMAPT
SCHEMBL19783105 0.80 KDM4E (0.43) LNPEPKDM4EALDH1A1SMN1; SMN2AR
Hydrazine SCHEMBL28514079 0.77 KDM4E (0.41) LNPEPKDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL29186948 0.75 S1PR1 (0.36) KDM4ENUDT1CYP1A2CYP3A4CYP2D6
SCHEMBL12434098 0.73 KDM4E (0.37) KDM4EALDH1A1SMN1; SMN2CYP1A2POLB
SCHEMBL20573162 0.72 KDM4E (0.38) LNPEPKDM4EALDH1A1SMN1; SMN2NUDT1
SCHEMBL31451327 0.71 NOS3 (0.33) KDM4EALDH1A1SMN1; SMN2CYP1A2NOS3
SCHEMBL31416644 0.70
SCHEMBL539467 0.70
SCHEMBL22637134 0.70 DYRK1A (0.38) KDM4EALDH1A1SMN1; SMN2NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4096659-A1 SREBP INHIBITORS COMPRISING A THIOPHENE CENTRAL RING Capulus Therapeutics, LLC (US) 2022-12-07 EP disclosed
WO-2021154735-A1 SREBP INHIBITORS COMPRISING A THIOPHENE CENTRAL RING CAPULUS THERAPEUTICS, LLC (US) 2021-08-05 WO disclosed
WO-2021154735-A1 SREBP INHIBITORS COMPRISING A THIOPHENE CENTRAL RING CAPULUS THERAPEUTICS, LLC (US) 2021-08-05 WO disclosed