SCHEMBL27368112

SCHEMBL27368112

CNC(=O)C(CCC=O)Nc1ccc(C(C)(C)C)c(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.36
▸ CNR2 P34972 3/20 0.35
▸ KDR P35968 1/20 0.34
▸ RAPGEF3 O95398 2/20 0.34
▸ RAPGEF4 Q8WZA2 1/20 0.34
▸ AR P10275 3/20 0.33
▸ CES2 O00748 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ AADAC P22760 1/20 0.33

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
SCHEMBL27362636 0.79 RAB9A (0.37) PDK1MAPK1HTTSMN1; SMN2TRPV1
SCHEMBL27368338 0.74 POLB (0.41) ALDH1A1CASR
SCHEMBL23551763 0.65 NAMPT (0.40) —
SCHEMBL24491308 0.64 KDM1A (0.42) ALDH1A1
SCHEMBL19951698 0.63 SMN1; SMN2 (0.43) PDK1KDRARCES2ABCB11
SCHEMBL1555605 0.63 SMN1; SMN2 (0.43) PDK1KDRARCES2ABCB11
SCHEMBL25557198 0.63 BMP1 (0.31) —
SCHEMBL29311609 0.62 CHRNB2 (0.38) CNR2CYP1A2CYP2C9KCNH2SMN1; SMN2
SCHEMBL25561171 0.62 HPGD (0.48) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL11879435 0.61 ALDH1A1 (0.68) PDK1KDRARCES2ABCB11

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-2024026083-A1 TARGETED PROTEIN DEGRADATION OF PARP14 FOR USE IN THERAPY RIBON THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
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