SCHEMBL11366152

SCHEMBL11366152

COC(=O)Nc1nc2cc(SSc3ccc4[nH]c(NC(=O)OC)nc4c3)ccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.62
CYP1A2 P05177 6/20 0.62
HIF1A Q16665 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
CYP2C19 P33261 1/20 0.62
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NR1I2 O75469 1/20 0.60
MAPK14 Q16539 1/20 0.60
MAPK1 P28482 4/20 0.59
NPSR1 Q6W5P4 3/20 0.59
HPGD P15428 2/20 0.59
TP53 P04637 2/20 0.59
KCNH2 Q12809 1/20 0.59
KDR P35968 5/20 0.52
ALDH1A1 P00352 3/20 0.52
ABL1 P00519 2/20 0.52
CYP2C9 P11712 2/20 0.52
HTT P42858 2/20 0.52
ABCC4 O15439 1/20 0.52

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
SCHEMBL10742639 0.94 LMNA (0.56) LMNACYP1A2HIF1ASMN1; SMN2CYP2C19
SCHEMBL24359625 0.94 LMNA (0.67) LMNACYP1A2HIF1ASMN1; SMN2CYP2C19
SCHEMBL20909217 0.90 LMNA (0.60) LMNACYP1A2HIF1ASMN1; SMN2CYP2C19
SCHEMBL11373040 0.89 LMNA (0.77) LMNACYP1A2HIF1ASMN1; SMN2CYP2C19
SCHEMBL9882802 0.87 LMNA (0.82) LMNACYP1A2HIF1ASMN1; SMN2CYP2C19
SCHEMBL10816027 0.87 LMNA (0.57) LMNACYP1A2HIF1ASMN1; SMN2CYP2C19
SCHEMBL30704747 0.87 LMNA (0.57) LMNACYP1A2HIF1ASMN1; SMN2CYP2C19
Fenbendazole SCHEMBL166352 0.86 LMNA (0.82) LMNACYP1A2HIF1ASMN1; SMN2CYP2C19
Fenbendazole SCHEMBL31547327 0.86 LMNA (0.82) LMNACYP1A2HIF1ASMN1; SMN2CYP2C19
Fenbendazole SCHEMBL31547342 0.86 LMNA (0.82) LMNACYP1A2HIF1ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4259344-A FUNGICIDES, ANTHELMINTICS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1981-03-31 US claimed
US-4259344-A FUNGICIDES, ANTHELMINTICS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1981-03-31 US disclosed