SCHEMBL29348228

SCHEMBL29348228

CC(C)N1C(=O)CN(C)c2ncccc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
KCNN4 O15554 4/20 0.37
GAA P10253 5/20 0.36
TP53 P04637 3/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 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
SCHEMBL29348227 0.82 SMN1; SMN2 (0.39) SMN1; SMN2LMNAKCNN4GAATP53
SCHEMBL15823778 0.81 SMN1; SMN2 (0.42) SMN1; SMN2LMNAGAATP53ALDH1A1
SCHEMBL29348230 0.76 PRKDC (0.32) SMN1; SMN2
SCHEMBL5956410 0.73 SMN1; SMN2 (0.41) SMN1; SMN2CYP2D6CYP2C9KCNN4GAA
SCHEMBL13019293 0.72 SMN1; SMN2 (0.47) SMN1; SMN2CYP2D6CYP2C9GAAALDH1A1
SCHEMBL12043652 0.72 RXFP1 (0.44) SMN1; SMN2LMNACYP2D6CYP2C9ALDH1A1
SCHEMBL25629019 0.71 GAA (0.41) SMN1; SMN2LMNAGAATP53MAPT
SCHEMBL29348229 0.71 CYP3A4 (0.36) SMN1; SMN2LMNACYP2D6CYP2C9GAA
SCHEMBL12339193 0.70 USP1 (0.38) CYP2D6CYP2C9KCNN4TSHR
SCHEMBL23563041 0.70 SMN1; SMN2 (0.44) SMN1; SMN2CYP2D6CYP2C9GAAALDH1A1

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-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed