SCHEMBL29405472

SCHEMBL29405472

C=Cc1ccc(Cn2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.63
▸ LMNA P02545 2/20 0.62
▸ PSMD14 O00487 1/20 0.62
▸ P2RX4 Q99571 4/20 0.51
▸ HDAC6 Q9UBN7 3/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL955942 1.00 CYP19A1 (0.63) CYP19A1LMNAPSMD14P2RX4HDAC6
SCHEMBL30681661 1.00 CYP19A1 (0.63) CYP19A1LMNAPSMD14P2RX4HDAC6
SCHEMBL1223439 0.90 P2RX4 (0.68) CYP19A1LMNAPSMD14P2RX4HDAC6
SCHEMBL17457937 0.89 PSMD14 (0.53) CYP19A1LMNAPSMD14P2RX4HDAC6
SCHEMBL16627135 0.87 PSMD14 (0.51) CYP19A1LMNAPSMD14P2RX4HDAC6
SCHEMBL31165289 0.87 PSMD14 (0.51) CYP19A1LMNAPSMD14P2RX4HDAC6
SCHEMBL10064304 0.86 PSMD14 (0.50) CYP19A1LMNAPSMD14P2RX4HDAC6
SCHEMBL14492838 0.85 CYP19A1 (0.68) CYP19A1LMNAPSMD14P2RX4HDAC6
SCHEMBL13957035 0.84 CYP19A1 (0.86) CYP19A1P2RX4HDAC6HDAC1HDAC10
SCHEMBL18638857 0.84 HDAC6 (0.51) CYP19A1LMNAPSMD14HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114133919-B Cooling liquid and preparation method thereof 中国石油化工股份有限公司 2024-03-01 — — CN claimed
CN-114133919-A Cooling liquid and preparation method thereof 中国石油化工股份有限公司 2022-03-04 — — CN claimed
CN-114133919-B Cooling liquid and preparation method thereof 中国石油化工股份有限公司 2024-03-01 — — CN disclosed
CN-114133919-A Cooling liquid and preparation method thereof 中国石油化工股份有限公司 2022-03-04 — — CN disclosed
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