SCHEMBL31721179

SCHEMBL31721179

COC(=O)c1ccc2ccn(C)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.41
PTGER4 P35408 1/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LCK P06239 1/20 0.37

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
SCHEMBL14645392 0.81 MGAM (0.43) KDM4EKMT2AMEN1RAB9AMAPT
SCHEMBL31721208 0.75 PDE1C (0.46) MAPK1KDM4EPTGER4ALDH1A1KMT2A
SCHEMBL29550054 0.75 KDM4E (0.46) MAPK1KDM4EPTGER4KMT2AMEN1
SCHEMBL23529965 0.75 KDM4E (0.46) MAPK1KDM4EPTGER4KMT2AMEN1
SCHEMBL31358062 0.75 NR1H2 (0.39) MAPK1PTGER4KMT2AMEN1
SCHEMBL24174887 0.74 MAPK1 (0.42) MAPK1KDM4EPTGER4ALDH1A1KMT2A
SCHEMBL19932639 0.74 KMT2A (0.43) MAPK1KDM4EALDH1A1KMT2ACYP1A2
SCHEMBL30540611 0.74 NQO2 (0.42) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL15687076 0.74 NOTUM (0.43) PTGER4MTNR1AMTNR1BKMT2AMEN1
SCHEMBL31403612 0.73 MAPK1 (0.41) MAPK1KDM4EALDH1A1KMT2AMEN1

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-2025231152-A1 COMPOUNDS AND METHODS FOR RESTORING BETA-ADRENERGIC RECEPTOR FUNCTION THE CLEVELAND CLINIC FOUNDATION (US) 2025-11-06 WO disclosed