SCHEMBL6743206

SCHEMBL6743206

NC(=S)N(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.51
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
KEAP1 Q14145 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL6799909 0.82 SIGMAR1 (0.42) SIGMAR1ALDH1A1L3MBTL1GAAKMT2A
SCHEMBL2431069 0.82 SIGMAR1 (0.55) SIGMAR1ALDH1A1GAACYP1A2CYP3A4
SCHEMBL3069182 0.82 SIGMAR1 (0.53) SIGMAR1ALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL27559476 0.81 SIGMAR1 (0.65) SIGMAR1ALDH1A1L3MBTL1KMT2A
SCHEMBL3082138 0.80 SIGMAR1 (0.48) SIGMAR1ALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL9547530 0.80 SIGMAR1 (0.51) SIGMAR1ALDH1A1GAACYP1A2CYP3A4
SCHEMBL28848705 0.79 SIGMAR1 (0.44) SIGMAR1ALDH1A1L3MBTL1GAACYP1A2
Potassium Ion SCHEMBL16628603 0.78 SIGMAR1 (0.47) SIGMAR1ALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL16628473 0.78 SIGMAR1 (0.47) SIGMAR1ALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL10786755 0.78 SIGMAR1 (0.47) SIGMAR1ALDH1A1L3MBTL1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259975-A1 System and method for forming photobleachable ink compositions ROBILLARD, JEAN J. (MX) 2004-12-23 US claimed
CN-102791798-B Heat-resistant aging polymeric amide BASF SE (DE) 2015-09-09 CN disclosed
CN-102666667-B Functionalized highly branched melamine-polyamine polymers BASF SE 2015-03-04 CN disclosed
CN-102791798-A Polyamides resistant to hot ageing BASF SE 2012-11-21 CN disclosed
CN-102666667-A Functionalized highly branched melamine-polyamine polymers BASF SE 2012-09-12 CN disclosed
US-20040259975-A1 System and method for forming photobleachable ink compositions ROBILLARD, JEAN J. (MX) 2004-12-23 US disclosed