SCHEMBL11150992

SCHEMBL11150992

O=C(Cc1ccccc1)N[CH]Cl

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
EPHX2 P34913 2/20 0.55
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
CNR2 P34972 4/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
ALDH1A1 P00352 1/20 0.50
AKR1B1 P15121 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
P2RX7 Q99572 1/20 0.49
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
CNR1 P21554 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL2750185 0.82 MEN1 (0.61) MEN1KMT2AHDAC8HDAC6EPHX2
SCHEMBL4680710 0.80 MEN1 (0.59) MEN1KMT2AHDAC8HDAC6EPHX2
SCHEMBL9175588 0.80 MEN1 (0.59) MEN1KMT2AHDAC8HDAC6EPHX2
SCHEMBL2136285 0.80 MEN1 (0.59) MEN1KMT2AHDAC8HDAC6EPHX2
SCHEMBL956201 0.80 MEN1 (0.59) MEN1KMT2AHDAC8HDAC6EPHX2
SCHEMBL2721956 0.78 MEN1 (0.57) MEN1KMT2AHDAC8HDAC6EPHX2
SCHEMBL10585859 0.78 MEN1 (0.57) MEN1KMT2AHDAC8HDAC6EPHX2
SCHEMBL6253478 0.78 MEN1 (0.57) MEN1KMT2AHDAC8HDAC6EPHX2
SCHEMBL11153843 0.77 MEN1 (0.55) MEN1KMT2AHDAC8HDAC6EPHX2
SCHEMBL21333228 0.77 MEN1 (0.55) MEN1KMT2AHDAC8HDAC6EPHX2

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-4410530-A CARDIO-SELECTIVE B-RECEPTOR BLOCKING AGENTS AND STIMULANTS CIBA-GEIGY CORPORATION (US) 1983-10-18 US disclosed
US-4195090-A ADRENERGIC BLOCKING AGENTS CIBA-GEIGY CORPORATION (US) 1980-03-25 US disclosed
US-4115575-A CARDIOVASCULAR DISORDERS CIBA-GEIGY CORPORATION (US) 1978-09-19 US disclosed