SCHEMBL29519882

SCHEMBL29519882

Cn1c(SCCn2c(=S)n(C)c3ccccc32)nc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD2 P25440 1/20 0.62
▸ POLB P06746 2/20 0.55
▸ ATM Q13315 1/20 0.53
▸ MAPT P10636 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ AR P10275 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.46
▸ LMNA P02545 4/20 0.46
▸ PDE10A Q9Y233 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GPR55 Q9Y2T6 1/20 0.43
▸ TP53 P04637 1/20 0.42

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
SCHEMBL29720424 0.77 BRD2 (1.00) BRD2POLBMAPTNPC1RAB9A
SCHEMBL8248939 0.77 BRD2 (1.00) BRD2POLBMAPTNPC1RAB9A
SCHEMBL12500188 0.75 POLB (0.69) POLBATMMAPTNPC1RAB9A
SCHEMBL18453732 0.74 POLB (0.60) POLBATMMAPTNPC1RAB9A
SCHEMBL16373711 0.74 POLB (0.60) POLBATMMAPTNPC1RAB9A
SCHEMBL19403581 0.72 ATM (0.55) POLBATMMAPTNPC1RAB9A
SCHEMBL8363128 0.72 PDE10A (0.58) POLBATMMAPTNPC1RAB9A
SCHEMBL17788508 0.71 POLB (0.56) POLBATMMAPTNPC1RAB9A
SCHEMBL9011629 0.71 POLB (0.52) POLBATMMAPTNPC1RAB9A
SCHEMBL19403478 0.71 POLB (0.72) POLBATMMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119164915-A Terahertz wave band sensing chip for detecting hepatitis B and H9N2 and application 中国计量大学 2024-12-20 — — CN disclosed
CN-119142973-A Escalator safety monitoring system and method based on multi-feature data fusion decision 青岛城市轨道交通科技有限公司 2024-12-17 — — CN disclosed
EP-2723884-B2 METHOD FOR DETECTING THE PRESENCE OF CARBAPENEMASE-PRODUCING BACTERIA IN A SAMPLE INST NAT SANTE RECH MED (FR) 2024-09-11 — — EP disclosed
EP-4045684-A1 METHODS OF PREPARING AN ENRICHED SAMPLE FOR POLYPEPTIDE SEQUENCING Quantum-Si Incorporated (US) 2022-08-24 — — EP disclosed
US-20220098646-A1 DETECTION METHOD OF PAN-RESISTANT K. PNEUMONIAE, SCREENING METHOD OF ANTIMICROBIAL AGENTS, AND RECORDING MEDIA AND DATABASE TEIKYO UNIVERSITY (JP) 2022-03-31 — — US disclosed
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