SCHEMBL24969033

SCHEMBL24969033

CCC(C)CN(C)Cc1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 2/20 0.35
HRH1 P35367 1/20 0.35
CYP19A1 P11511 2/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP1A2 P05177 2/20 0.35
TSHR P16473 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
MAPT P10636 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL23374745 0.83 KDM4E (0.43) KDM4ESMN1; SMN2CHRNB2CHRNA4MEN1
SCHEMBL18890757 0.81 CARM1 (0.48) KDM4ESMN1; SMN2MEN1LMNAKMT2A
SCHEMBL27947483 0.78 SMN1; SMN2 (0.50) KDM4ESMN1; SMN2CHRNB2CHRNA4CYP3A4
SCHEMBL733206 0.77 CHRNB2 (0.62) KDM4ESMN1; SMN2CHRNB2CHRNA4CYP3A4
SCHEMBL30093206 0.76 KDM4E (0.53) KDM4ESMN1; SMN2CHRNB2CHRNA4CYP3A4
SCHEMBL21763492 0.74 ADRA2B (0.47) KDM4ESMN1; SMN2MEN1LMNAKMT2A
SCHEMBL15308555 0.73 KDM4E (0.51) KDM4ESMN1; SMN2CHRNB2CHRNA4CYP3A4
SCHEMBL5948692 0.73 TSHR (0.32) TSHR
SCHEMBL8294943 0.72 CYP3A4 (0.44) CHRNB2LMNACYP3A4CYP2D6CYP19A1
Hydrochloric Acid SCHEMBL9638792 0.72 MAPT (0.48) KDM4ESMN1; SMN2MEN1KMT2ATSHR

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-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed