SCHEMBL8946556

SCHEMBL8946556

COc1c(C)cc(NN)c(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
NQO2 P16083 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
AGXT P21549 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 1/20 0.32
PKM P14618 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL8946911 0.98 ALDH1A1 (0.36) ALDH1A1NQO2POLBRAB9AAGXT
SCHEMBL10763176 0.75
SCHEMBL148267 0.72 ALDH1A1 (0.43) ALDH1A1NQO2POLBRAB9AAGXT
SCHEMBL7046840 0.72 SCN4A (0.39) ALDH1A1NQO2KDM4ELMNAMEN1
SCHEMBL3008135 0.71 IMPDH2 (0.41) ALDH1A1POLBAGXTACHEGAA
SCHEMBL1635426 0.70 ACHE (0.50) ALDH1A1NQO2POLBMEN1MAPT
SCHEMBL12326160 0.70 ALDH1A1 (0.42) ALDH1A1POLBRAB9AAGXTLMNA
SCHEMBL29793476 0.70 ACHE (0.50) ALDH1A1NQO2POLBMEN1MAPT
Hydrochloric Acid SCHEMBL9526742 0.70 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAMEN1MAPT
Hydrochloric Acid SCHEMBL8946544 0.70 IMPDH2 (0.40) ALDH1A1POLBAGXTMEN1MAPT

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-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
EP-0481708-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1992-04-22 EP disclosed