SCHEMBL11423947

SCHEMBL11423947

CCCCCCSc1nnc(SCCCCCC)s1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.76
SMN1; SMN2 Q16637 4/20 0.44
APEX1 P27695 1/20 0.44
USP2 O75604 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GPR84 Q9NQS5 1/20 0.38

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
SCHEMBL28887982 1.00 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2APEX1USP2LMNA
SCHEMBL7797173 1.00 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2APEX1USP2LMNA
SCHEMBL2772386 1.00 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2APEX1USP2LMNA
SCHEMBL10797452 0.98 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2APEX1USP2LMNA
SCHEMBL10797194 0.91 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2APEX1USP2LMNA
SCHEMBL9777349 0.91 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2APEX1USP2LMNA
SCHEMBL17550796 0.90 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2APEX1USP2LMNA
SCHEMBL28508900 0.88 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2LMNAMAPTCYP2C9
SCHEMBL12110047 0.88 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2LMNAMAPTCYP2C9
SCHEMBL10012862 0.87 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2APEX1USP2LMNA

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
CN-112206750-B Material for selectively adsorbing palladium and preparation method and application thereof 中南大学 2021-10-12 CN claimed
CN-112206750-A Material for selectively adsorbing palladium and preparation method and application thereof 中南大学 2021-01-12 CN claimed
US-4216100-A FRO GAS TURBINE ENGINES TEXACO INC. (US) 1980-08-05 US claimed
CN-112206750-B Material for selectively adsorbing palladium and preparation method and application thereof 中南大学 2021-10-12 CN disclosed
CN-112206750-A Material for selectively adsorbing palladium and preparation method and application thereof 中南大学 2021-01-12 CN disclosed
US-4216100-A FRO GAS TURBINE ENGINES TEXACO INC. (US) 1980-08-05 US disclosed