SCHEMBL6677893

SCHEMBL6677893

CN1Cc2ccccc2SC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
MAOA P21397 2/20 0.36
RYR2 Q92736 2/20 0.36
PARP1 P09874 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 2/20 0.35
MAOB P27338 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL17933519 0.77 MAOA (0.55) MEN1KMT2AMAOASIGMAR1CHRM2
SCHEMBL10814295 0.77 HPGD (0.39) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL11633335 0.75 MAOA (0.50) KDM4EALDH1A1HPGDHTTMAOA
SCHEMBL9710515 0.74 BRD4 (0.43) BRD4CREBBPALDH1A1RYR2LMNA
SCHEMBL8946181 0.67 KDM1A (0.40) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL6238887 0.67 ALDH1A1 (0.47) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL29836089 0.67 ALDH1A1 (0.47) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL29463396 0.67 MAOA (0.40) BRD4CREBBPALDH1A1HPGDMAOA
SCHEMBL11217635 0.67 MAOA (0.40) BRD4CREBBPALDH1A1HPGDMAOA
Hydrochloric Acid SCHEMBL11140336 0.67 MAOA (0.69) MAOAMAOBCHRM2HTR1AADRA2A

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
US-20040191855-A1 Production of secondary metabolites SYNEXA LIFE SCIENCES (PROPRIETARY) LIMITED (ZA) 2004-09-30 US disclosed
EP-1425378-A2 PRODUCTION OF SECONDARY METABOLITES Synexa Life Sciences (Proprietary) Ltd (ZA) 2004-06-09 EP disclosed
WO-2002094979-A2 PRODUCTION OF SECONDARY METABOLITES SYNEXA LIFE SCIENCES (PROPRIETARY) LTD (ZA) 2002-11-28 WO disclosed