SCHEMBL25026631

SCHEMBL25026631

CCCCCCN1c2ccc(-c3cccnc3)cc2Sc2cc(-c3cccnc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ICMT O60725 1/20 0.47
▸ CYP19A1 P11511 3/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CYP11B1 P15538 10/20 0.45
▸ CYP11B2 P19099 10/20 0.45
▸ CYP1A2 P05177 3/20 0.45
▸ CYP17A1 P05093 1/20 0.44
▸ GRM2 Q14416 1/20 0.44
▸ TLR8 Q9NR97 1/20 0.44
▸ DRD2 P14416 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 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
SCHEMBL23954299 0.86 ICMT (0.38) ICMTCYP19A1CYP3A4CYP2D6CYP2C9
SCHEMBL25026632 0.80 CYP11B2 (0.57) CYP19A1CYP3A4CYP2C9CYP2C19CYP11B1
SCHEMBL23954268 0.75 KDM4E (0.42) CYP2D6CYP2C19CYP1A2DRD2CNR1
SCHEMBL13413078 0.74 CYP1A2 (0.39) CYP19A1CYP3A4CYP2D6CYP11B1CYP11B2
SCHEMBL25028067 0.74 KDM1A (0.38) CYP2D6CYP2C19CYP1A2DRD2CNR1
SCHEMBL13212478 0.73 DRD3 (0.47) CYP2D6CYP2C19CYP1A2TLR8DRD2
SCHEMBL15237164 0.73 DRD3 (0.47) CYP2D6CYP2C19CYP1A2TLR8DRD2
SCHEMBL13212476 0.73 DRD3 (0.47) CYP2D6CYP2C19CYP1A2TLR8DRD2
SCHEMBL801271 0.72 DRD2 (0.49) CYP2D6CYP2C19CYP1A2DRD2CNR1
SCHEMBL8739350 0.72 DRD2 (0.49) CYP2D6CYP2C19CYP1A2DRD2CNR1

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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