SCHEMBL29196668

SCHEMBL29196668

Cn1c(I)cc2c(Cl)nccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.42
▸ BCL6 P41182 7/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL30855433 1.00 RXFP1 (0.42) RXFP1BCL6MAPTKDM4EHCRTR1
SCHEMBL23474006 0.80 CYP3A4 (0.48) RXFP1BCL6MAPTKDM4EHCRTR1
SCHEMBL16795077 0.76 RXFP1 (0.41) RXFP1BCL6MAPTCYP3A4LMNA
SCHEMBL23479477 0.76 RXFP1 (0.41) RXFP1BCL6MAPTCYP3A4LMNA
SCHEMBL23478503 0.76 RXFP1 (0.41) RXFP1BCL6MAPTKDM4ECYP3A4
SCHEMBL16809631 0.75 RHEB (0.46) RXFP1BCL6MAPTCYP3A4LMNA
SCHEMBL16331628 0.73 HPGD (0.50) RXFP1MAPTKDM4ECYP3A4LMNA
SCHEMBL30067097 0.73 RXFP1 (0.45) RXFP1BCL6MAPTKDM4ELMNA
SCHEMBL2043856 0.71 PIM1 (0.46) MAPTKDM4ECYP3A4LMNAMAPK1
SCHEMBL15519664 0.70 RXFP1 (0.36) RXFP1BCL6MAPTKDM4ECYP3A4

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-117886821-A Nitrogen-containing condensed ring derivative inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2024-04-16 — — CN disclosed
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