SCHEMBL22908407

SCHEMBL22908407

CC#Cc1cc(Cl)c(C2C(=O)CC3(CCN(C(=O)C(O)NC4CC4)CC3)CC2=O)c(OC)c1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
HTR4 Q13639 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
HTR3A P46098 3/20 0.30
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR5A P47898 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL22908423 0.87 BTK (0.31) MEN1KMT2AKDM4EMAPT
SCHEMBL22908536 0.85 CYP2D6 (0.37) MEN1KMT2AHTR4MAPTCYP2D6
SCHEMBL22908541 0.84 LMNA (0.38) MEN1KMT2A
SCHEMBL22908447 0.82 HTR4 (0.34) HTR4
SCHEMBL22908427 0.82 HTR4 (0.34) HTR4
SCHEMBL22908534 0.82 HTR1A (0.34)
SCHEMBL22908540 0.81 CYP2D6 (0.41) MEN1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL22908552 0.81 CYP3A4 (0.44) MEN1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL22908535 0.80 POLB (0.32)
SCHEMBL22908538 0.80 CCR8 (0.41) MEN1KMT2ACYP2D6CYP2C9

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
WO-2021009048-A1 HERBICIDAL CYCLOHEXANEDIONE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2021-01-21 WO disclosed