SCHEMBL28451114

SCHEMBL28451114

COc1ccc(-c2cccc(Cl)c2)c(C)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 2/20 0.46
▸ RORC P51449 2/20 0.46
▸ RORB Q92753 2/20 0.46
▸ PDE4D Q08499 2/20 0.44
▸ PDE4B Q07343 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ DHPS P49366 1/20 0.42
▸ MAPK10 P53779 3/20 0.42
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2E1 P05181 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C8 P10632 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP4B1 P13584 1/20 0.41

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
SCHEMBL28321052 0.80 SQOR (0.41) FYNNPC1MAPTCD274
SCHEMBL3841461 0.78 PDE4D (0.52) FYNRORCRORBPDE4DPDE4B
SCHEMBL5099550 0.77 PDE4D (0.56) FYNRORCRORBPDE4DPDE4B
SCHEMBL3787052 0.76 PDE4B (0.52) FYNRORCRORBPDE4DPDE4B
SCHEMBL3797410 0.74 HTR7 (0.55) RORCRORBPDE4DPDE4BDHPS
SCHEMBL26063261 0.73 FYN (0.51) FYNMAPTCYP1A1CYP1A2CYP2E1
SCHEMBL30076250 0.73 KDM1A (0.48) MAPTCYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL27649562 0.73 TSHR (0.45) FYNRORCRORBPDE4DPDE4B
SCHEMBL16290445 0.73 MAPK10 (0.45) FYNRORCRORBPDE4DPDE4B
SCHEMBL29634014 0.72 PDE4B (0.51) FYNRORCRORBPDE4DPDE4B

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-107531705-B Bicyclic ketone sulfonamide compounds 美国安进公司 2020-09-18 — — CN disclosed
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