SCHEMBL10605779

SCHEMBL10605779

O=CNCc1ccc(OCC(O)CN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.66
RAB9A P51151 1/20 0.53
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
ALDH1A1 P00352 6/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 2/20 0.43
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL10608854 0.79 KMT2A (0.73) KMT2ARAB9AMAPK1SMN1; SMN2POLB
SCHEMBL18527815 0.78 KMT2A (0.72) KMT2ARAB9AMAPK1SMN1; SMN2POLB
SCHEMBL18527818 0.78 KMT2A (0.72) KMT2ARAB9AMAPK1SMN1; SMN2POLB
SCHEMBL10603852 0.76 KMT2A (0.70) KMT2ARAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL10603968 0.76 KMT2A (0.69) KMT2ARAB9AMAPK1SMN1; SMN2POLB
SCHEMBL11195417 0.75 KMT2A (0.60) KMT2ARAB9AMAPK1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL10604021 0.74 NPC1 (0.45) KMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL9166449 0.74 KMT2A (0.70) KMT2ARAB9AMAPK1SMN1; SMN2POLB
SCHEMBL7163322 0.72 MAPK1 (0.59) MAPK1POLBALDH1A1KDM4EMAPT
SCHEMBL25152979 0.72 MAPK1 (0.62) KMT2ARAB9AMAPK1POLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4837305-A Derivatives of β-adrenergic antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1989-06-06 US disclosed
US-4687873-A Derivatives of β-adrenergic antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1987-08-18 US disclosed
EP-0117089-A1 Beta-adrenergic antagonist compounds and derivatives of beta-adrenergic antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1984-08-29 EP disclosed