SCHEMBL14652763

SCHEMBL14652763

c1ccc(-c2ccc3[nH]c4ccc5c6ccccc6sc5c4c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 3/20 0.49
▸ CCND1 P24385 3/20 0.49
▸ TNKS2 Q9H2K2 3/20 0.45
▸ TNKS O95271 2/20 0.45
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ GABRA1 P14867 2/20 0.40
▸ GABRG2 P18507 2/20 0.40
▸ GABRB3 P28472 2/20 0.40
▸ GABRA5 P31644 2/20 0.40
▸ GABRA3 P34903 2/20 0.40
▸ GABRA2 P47869 2/20 0.40
▸ GABRA6 Q16445 2/20 0.40
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ GABRA4 P48169 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
SCHEMBL30104215 1.00 CDK4 (0.49) CDK4CCND1TNKS2TNKSMEN1
SCHEMBL24728627 0.93 CDK4 (0.50) CDK4CCND1TNKS2TNKSMEN1
SCHEMBL14653419 0.92 CDK4 (0.51) CDK4CCND1TNKS2TNKSMEN1
SCHEMBL17117700 0.92 CDK4 (0.51) CDK4CCND1TNKS2TNKSMEN1
SCHEMBL17463758 0.91 MAPT (0.44) CDK4CCND1TNKS2TNKSMEN1
SCHEMBL14951590 0.90 GABRA1 (0.45) CDK4CCND1TNKS2TNKSMEN1
SCHEMBL26536414 0.89 CDK4 (0.49) CDK4CCND1TNKS2TNKSMEN1
SCHEMBL17117711 0.89 CDK4 (0.49) CDK4CCND1TNKS2TNKSMEN1
SCHEMBL25681661 0.89 GABRP (0.46) CDK4CCND1TNKS2TNKSMEN1
SCHEMBL17117653 0.86 ALOX5 (0.56) CDK4CCND1TNKS2TNKSMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023094412-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-01 — — WO disclosed
WO-2013012296-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-01-24 — — WO disclosed
WO-2013012297-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-01-24 — — WO disclosed
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