SCHEMBL25028122

SCHEMBL25028122

CCCCCCN1c2ccccc2Sc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MARK4 Q96L34 1/20 0.57
▸ SNCA P37840 1/20 0.49
▸ CYP1A2 P05177 7/20 0.48
▸ CYP2D6 P10635 7/20 0.48
▸ TP53 P04637 4/20 0.48
▸ THPO P40225 4/20 0.48
▸ MTOR P42345 4/20 0.48
▸ TSHR P16473 4/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ PDF Q9HBH1 1/20 0.48
▸ HTR1A P08908 5/20 0.48
▸ DRD2 P14416 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ LMNA P02545 4/20 0.48
▸ CHRM2 P08172 4/20 0.48
▸ ADRA2A P08913 4/20 0.48
▸ CHRM1 P11229 4/20 0.48
▸ DRD1 P21728 4/20 0.48
▸ SLC6A2 P23975 4/20 0.48

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
SCHEMBL31302973 0.88 SNCA (0.60) MARK4SNCACYP1A2CYP2D6TP53
SCHEMBL27786833 0.84 MARK4 (0.50) MARK4SNCACYP1A2CYP2D6TP53
SCHEMBL28347553 0.82 PIM1 (0.67) CYP1A2CYP2D6TP53THPOMTOR
SCHEMBL6120214 0.82 PIM1 (0.67) CYP1A2CYP2D6TP53THPOMTOR
SCHEMBL4192605 0.82 PIM1 (0.67) CYP1A2CYP2D6TP53THPOMTOR
SCHEMBL2784918 0.82 PIM1 (0.67) CYP1A2CYP2D6TP53THPOMTOR
SCHEMBL7397164 0.82 PIM1 (0.67) CYP1A2CYP2D6TP53THPOMTOR
SCHEMBL31302971 0.82 PIM1 (0.67) CYP1A2CYP2D6TP53THPOMTOR
SCHEMBL342329 0.82 PIM1 (0.67) CYP1A2CYP2D6TP53THPOMTOR
SCHEMBL29557345 0.82 PIM1 (0.67) CYP1A2CYP2D6TP53THPOMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230050869-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-02-16 — — US disclosed
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