SCHEMBL7946340

SCHEMBL7946340

COc1cc(CN)ccc1OCc1ccccc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.58
HTT P42858 3/20 0.57
GAA P10253 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
ABCB1 P08183 4/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HTR1A P08908 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL3459033 0.86 RAB9A (0.58) RAB9AHTTGAAALDH1A1MAPT
SCHEMBL3411267 0.86 RAB9A (0.60) RAB9AHTTGAAALDH1A1MAPT
SCHEMBL13929792 0.82 L3MBTL1 (0.60) RAB9AHTTGAAALDH1A1MAPT
SCHEMBL3712764 0.82 MEN1 (0.60) RAB9AALDH1A1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL42327 0.81 MEN1 (0.59) RAB9AALDH1A1MAPTKMT2AMEN1
SCHEMBL19237513 0.77 RAB9A (0.49) RAB9AHTTGAAALDH1A1MAPT
SCHEMBL28654555 0.76 RAB9A (0.66) RAB9AHTTGAAALDH1A1MAPT
SCHEMBL28648496 0.76 ALDH1A1 (0.74) RAB9AHTTALDH1A1MAPTKMT2A
SCHEMBL16763126 0.76 MAOB (0.63) RAB9AGAAALDH1A1MAPTNPC1
SCHEMBL3722770 0.76 MAPK1 (0.59) RAB9AHTTALDH1A1KMT2AMEN1

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
WO-2013142328-A1 SMALL MOLECULE ANTAGONISTS OF PF4 CONTAINING ULTRA LARGE COMPLEXES THE TRUSTEES OF THE UNIVERSITY OF PENSYLVANIA (US) 2013-09-26 WO disclosed
WO-2013142328-A1 SMALL MOLECULE ANTAGONISTS OF PF4 CONTAINING ULTRA LARGE COMPLEXES THE TRUSTEES OF THE UNIVERSITY OF PENSYLVANIA (US) 2013-09-26 WO disclosed
US-6262084-B1 Compounds that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION 2001-07-17 US disclosed