SCHEMBL9832081

SCHEMBL9832081

CCn1c(=O)[nH]c2cc3nn[nH]c3cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PGR P06401 2/20 0.42
GRIA1 P42261 2/20 0.39
GRIA2 P42262 2/20 0.39
GRIA3 P42263 2/20 0.39
GRIA4 P48058 2/20 0.39
MAOB P27338 3/20 0.39
PDE4A P27815 2/20 0.33
ADORA2A P29274 2/20 0.33
PDE4B Q07343 2/20 0.33

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
SCHEMBL9832846 0.89 BLM (0.42) CYP1A2MEN1KMT2ALMNACYP3A4
SCHEMBL9833158 0.80 LMNA (0.50) MEN1KMT2ALMNAPGRGRIA1
SCHEMBL6904350 0.76 CYP1A2 (0.67) CYP1A2MEN1KMT2ALMNACYP3A4
SCHEMBL612079 0.71 CYP1A2 (1.00) CYP1A2MEN1KMT2ALMNACYP3A4
SCHEMBL6909295 0.71 CYP1A2 (0.65) CYP1A2MEN1KMT2ALMNACYP3A4
SCHEMBL6799574 0.71 CYP1A2 (0.65) CYP1A2MEN1KMT2ALMNACYP3A4
SCHEMBL7063351 0.71 CYP1A2 (0.65) CYP1A2MEN1KMT2ALMNACYP3A4
SCHEMBL29701185 0.71 CYP1A2 (1.00) CYP1A2MEN1KMT2ALMNACYP3A4
SCHEMBL6619480 0.70 SMN1; SMN2 (0.50) CYP1A2MEN1KMT2ALMNACYP3A4
SCHEMBL9834896 0.68 PSMB8 (0.45) MEN1KMT2AALDH1A1

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
EP-0257334-B1 TRICYCLIC BENZOTRIAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS Roche Diagnostics GmbH (DE) 1991-01-02 EP disclosed
US-4835167-A Tricyclic benzotriazoles, processes for the preparation thereof and pharmaceutical compositions containing them BOEHRINGER MANNHEIM GMBH (DE) 1989-05-30 US disclosed
EP-0257334-A2 Tricyclic benzotriazoles, process for their preparation and medicaments Roche Diagnostics GmbH (DE) 1988-03-02 EP disclosed