SCHEMBL14459652

SCHEMBL14459652

CCC(C)(CC)c1nccn1CCO

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
TLR8 Q9NR97 2/20 0.34
FPR2 P25090 1/20 0.33
FDPS P14324 1/20 0.31
LMNA P02545 1/20 0.30
ADORA2B P29275 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
KCNH2 Q12809 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL26196835 0.77 KDR (0.32) KMT2AALDH1A1POLBTLR8FPR2
SCHEMBL13946295 0.76 KMT2A (0.44) KMT2AALDH1A1POLBTLR8FDPS
SCHEMBL19788985 0.76 KMT2A (0.33) KMT2AALDH1A1POLBFPR2FDPS
SCHEMBL18912333 0.71 KMT2A (0.42) KMT2AALDH1A1POLBTLR8ADORA2B
SCHEMBL18905838 0.71 KMT2A (0.44) KMT2AALDH1A1POLBTLR8ADORA2B
SCHEMBL26196840 0.71 ALPG (0.48) KMT2AALDH1A1POLBTLR8FPR2
SCHEMBL440676 0.70
SCHEMBL9421338 0.69 ESR1 (0.44) KMT2AALDH1A1POLBTLR8FPR2
Hydrochloric Acid SCHEMBL15436961 0.68 KMT2A (0.60) KMT2AALDH1A1POLBFDPSLMNA
SCHEMBL11295344 0.68 KCNH2 (0.42) KMT2AALDH1A1POLBTLR8LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244738-B2 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC (US) 2007-07-17 US disclosed
US-7244738-B2 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC (US) 2007-07-17 US disclosed