SCHEMBL10358299

SCHEMBL10358299

CSCCOc1cccc(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.62
HTT P42858 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAOB P27338 8/20 0.51
KDM4E B2RXH2 4/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6606515 0.83 MAOB (0.56) RAB9AHTTL3MBTL1ALDH1A1KMT2A
SCHEMBL13883739 0.82 MAOB (0.64) RAB9AHTTL3MBTL1ALDH1A1KMT2A
SCHEMBL23733022 0.82 RAB9A (0.62) RAB9AHTTL3MBTL1ALDH1A1KMT2A
SCHEMBL7162438 0.81 MAOB (0.62) RAB9AHTTL3MBTL1ALDH1A1KMT2A
SCHEMBL21086834 0.80 TDP1 (0.57) RAB9AHTTL3MBTL1KMT2ACYP1A2
SCHEMBL1438757 0.79 MAOB (0.56) RAB9AHTTL3MBTL1ALDH1A1KMT2A
SCHEMBL30049851 0.79 KDM4E (0.56) RAB9AHTTL3MBTL1ALDH1A1KMT2A
SCHEMBL23732573 0.79 KDM4E (0.56) RAB9AHTTL3MBTL1ALDH1A1KMT2A
SCHEMBL2801030 0.79 MAOB (0.60) RAB9AHTTL3MBTL1ALDH1A1KMT2A
SCHEMBL30628305 0.79 RAB9A (0.40) RAB9AHTTL3MBTL1KMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0262188-B1 STEROIDS COMPRISING A SPIRANIC CYCLE IN POSITION 17, PREPARATION PROCESS AND UTILIZATION THEREOF ROUSSEL-UCLAF (FR) 1990-11-14 EP disclosed
US-4900725-A CONTRACEPTIVES ROUSSEL UCLAF (FR) 1990-02-13 US disclosed
EP-0262188-A1 STEROIDS COMPRISING A SPIRANIC CYCLE IN POSITION 17, PREPARATION PROCESS AND UTILIZATION THEREOF. ROUSSEL UCLAF (FR) 1988-04-06 EP disclosed
WO-1987005908-A1 STEROIDS COMPRISING A SPIRANIC CYCLE IN POSITION 17, PREPARATION PROCESS AND UTILIZATION THEREOF ROUSSEL-UCLAF (FR) 1987-10-08 WO disclosed