SCHEMBL27468396

SCHEMBL27468396

Clc1ccc(Cc2nccs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.51
SLC6A3 Q01959 1/20 0.50
LTA4H P09960 1/20 0.49
ALDH1A1 P00352 1/20 0.47
FFAR2 O15552 1/20 0.46
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
FBP1 P09467 1/20 0.43
HPGD P15428 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
ADRB2 P07550 1/20 0.39

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
SCHEMBL9247587 0.83 NR1H3 (0.50) NR1H3SLC6A3FFAR2POLBKDM4E
SCHEMBL2973461 0.81 LTA4H (0.49) LTA4HALDH1A1POLBFBP1HPGD
SCHEMBL27855068 0.81 CYP2C19 (0.50) LTA4HALDH1A1KDM4EFBP1CYP2C9
SCHEMBL6821892 0.81 LTA4H (0.49) NR1H3LTA4HFBP1NPC1ADRB2
SCHEMBL6163997 0.80 CYP17A1 (0.50) NR1H3SLC6A3LTA4HALDH1A1HPGD
SCHEMBL378027 0.80 PDPK1 (0.50) NR1H3SLC6A3LTA4HALDH1A1KDM4E
SCHEMBL5533749 0.79 LOXL2 (0.62) SLC6A3LTA4HADRB2LOXL2
SCHEMBL2269823 0.79 FBP1 (0.45) NR1H3ALDH1A1KDM4EFBP1HPGD
SCHEMBL7617248 0.78 PDPK1 (0.48) NR1H3SLC6A3LTA4HALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3930720 0.78 PDPK1 (0.48) NR1H3SLC6A3LTA4HALDH1A1KDM4E

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
CN-1149191-C Azetidine derivatives, Preparation and medicines containing them ���ĵ�˹ҩ��ɷ����޹�˾ 2004-05-12 CN disclosed
CN-1316991-A Azetidine derivatives, preparation and medicines containing them AVENTIS PHARMA SA (FR) 2001-10-10 CN disclosed