SCHEMBL9629583

SCHEMBL9629583

C1=C(CNCc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAOA P21397 1/20 0.47
DPP7 Q9UHL4 3/20 0.46
CHRM2 P08172 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.44
BCHE P06276 1/20 0.44
GRIN2B Q13224 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH7 P40394 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL23023141 0.85 EPHX1 (0.55) MEN1KMT2ATDP1MAOADPP7
SCHEMBL14217534 0.80 MEN1 (0.44) MEN1KMT2ATDP1MAOADPP7
SCHEMBL1654 0.79 MEN1 (0.78) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL5799878 0.79 MEN1 (0.78) MEN1KMT2ATDP1MAOACHRM2
Benzene SCHEMBL11697595 0.79 MEN1 (0.78) MEN1KMT2ATDP1MAOACHRM2
Bromide SCHEMBL998627 0.77 MEN1 (0.74) MEN1KMT2ATDP1MAOACHRM2
Ammonia Solution, Strong SCHEMBL2064651 0.77 MEN1 (0.74) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL3990993 0.77 MEN1 (0.74) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL21550054 0.77 MEN1 (0.74) MEN1KMT2ATDP1MAOACHRM2
Hydrochloric Acid SCHEMBL1862144 0.77 MEN1 (0.74) MEN1KMT2ATDP1MAOACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0213080-B1 HYDROGENATED PYRIDINE DERIVATIVES CIBA-GEIGY AG (CH) 1992-05-20 EP disclosed
US-4939160-A Nootropic agents CIBA-GEIGY CORPORATION (US) 1990-07-03 US disclosed
US-4833169-A MEMORY ACTIVATORS CIBA-GEIGY CORPORATION (US) 1989-05-23 US disclosed
EP-0213080-A2 Hydrogenated pyridine derivatives CIBA-GEIGY AG (CH) 1987-03-04 EP disclosed