SCHEMBL9733019

SCHEMBL9733019

C#Cc1ccc(N2C=CCC=C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MPO P05164 1/20 0.31

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
SCHEMBL1105689 0.71 F2 (0.39)
SCHEMBL7436462 0.70 NPC1 (0.36)
SCHEMBL28766776 0.69
SCHEMBL28871 0.68 HDAC8 (0.59) HDAC8CA12CA1CA2CA4
SCHEMBL27563745 0.65 MAPT (0.44)
SCHEMBL28704374 0.65 AKR1C3 (0.53) AKR1C3
SCHEMBL578312 0.65 AKR1C3 (0.53) AKR1C3
SCHEMBL10481152 0.65 HDAC8 (0.56) AKR1C3HDAC8CA12CA1CA2
Ammonia Solution, Strong SCHEMBL22721248 0.65 HDAC8 (0.56) AKR1C3HDAC8CA12CA1CA2
SCHEMBL10929982 0.64 MAPT (0.50) CA1CA2

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-5158963-A Cognition activators; improve brain function KAKEN PHARMACEUTICAL CO., LTD. (JP) 1992-10-27 US disclosed
EP-0411549-A1 1,4-dihydropyridine derivative, process for preparing the same and pharmaceutical composition containing the same Kaken Pharmaceutical Co., Ltd. (JP) 1991-02-06 EP disclosed