SCHEMBL30174389

SCHEMBL30174389

CCCCCCCCn1cnc2ccc(C(=O)OC)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 1/20 0.50
▸ TLR8 Q9NR97 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ MTNR1A P48039 1/20 0.47
▸ MTNR1B P49286 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ LMNA P02545 2/20 0.46
▸ BRD4 O60885 1/20 0.45
▸ NR1I2 O75469 2/20 0.45
▸ FGFR1 P11362 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KDM5A P29375 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.42
▸ KDM5B Q9UGL1 1/20 0.42
▸ USP2 O75604 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
SCHEMBL29465809 0.90 MTNR1A (0.47) PLA2G4AMTNR1AMTNR1BMAPTLMNA
SCHEMBL25998805 0.89 SIRT2 (0.49) PLA2G4AHPGDMAPTLMNANR1I2
SCHEMBL17103068 0.89 BRD4 (0.48) HPGDMTNR1AMTNR1BMAPTLMNA
SCHEMBL1539106 0.89 HPGD (0.60) PLA2G4ATLR8HPGDMAPTLMNA
SCHEMBL2935051 0.86 MTNR1A (0.48) HPGDMTNR1AMTNR1BMAPTLMNA
SCHEMBL25998809 0.85 SMPD1 (0.48) PLA2G4AHPGDMAPTLMNANR1I2
SCHEMBL17263071 0.85 MTNR1A (0.51) MTNR1AMTNR1BMAPTLMNABRD4
SCHEMBL17263019 0.84 KDM4E (0.51) MTNR1AMTNR1BMAPTLMNABRD4
SCHEMBL28754371 0.84 KMT2A (0.55) HPGDMTNR1AMTNR1BMAPTLMNA
SCHEMBL29737945 0.84 KMT2A (0.55) HPGDMTNR1AMTNR1BMAPTLMNA

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
CN-115515956-A Benzimidazole derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-12-23 — — CN disclosed
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