SCHEMBL8624587

SCHEMBL8624587

c1ccc(CSCCNCCNCCSCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
HPGD P15428 4/20 0.56
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP2C19 P33261 3/20 0.52
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 1/20 0.48
HTT P42858 2/20 0.45
SIGMAR1 Q99720 1/20 0.45
GAA P10253 1/20 0.44
KDM4E B2RXH2 2/20 0.43
PKM P14618 1/20 0.43
ALOX12 P18054 1/20 0.43

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
Hydrochloric Acid SCHEMBL6896622 0.88 SIGMAR1 (0.55) ALDH1A1HPGDLMNASMN1; SMN2CYP2C19
SCHEMBL17345877 0.84 ALDH1A1 (0.46) ALDH1A1HPGDLMNASMN1; SMN2CYP2C19
SCHEMBL11935009 0.82 SIGMAR1 (0.49) ALDH1A1HPGDLMNASMN1; SMN2SIGMAR1
SCHEMBL17345972 0.82 KCNH2 (0.63) ALDH1A1HPGDLMNASMN1; SMN2CYP2C19
SCHEMBL17346103 0.82 ALDH1A1 (0.45) ALDH1A1HPGDLMNASMN1; SMN2CYP2C19
SCHEMBL17345973 0.82 ALDH1A1 (0.45) ALDH1A1HPGDLMNASMN1; SMN2CYP2C19
SCHEMBL6238233 0.81 CYP2C19 (0.66) ALDH1A1HPGDLMNASMN1; SMN2CYP2C19
SCHEMBL17345882 0.81 ALDH1A1 (0.44) ALDH1A1HPGDLMNASMN1; SMN2CYP2C19
SCHEMBL17345899 0.81 SIGMAR1 (0.45) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL3078147 0.81 CYP2C19 (0.64) ALDH1A1HPGDLMNASMN1; SMN2CYP2C19

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-0444130-B1 TECHNETIUM-99m COMPLEX FOR EXAMINING THE RENAL FUNCTION MALLINCKRODT INC (US) 1998-06-10 EP disclosed
EP-0444130-A1 TECHNETIUM-99m COMPLEX FOR EXAMINING THE RENAL FUNCTION MALLINCKRODT, INC. (US) 1991-09-04 EP disclosed
WO-1990005733-A1 TECHNETIUM-99m COMPLEX FOR EXAMINING THE RENAL FUNCTION MALLINCKRODT, INC. (US) 1990-05-31 WO disclosed