SCHEMBL5757740

SCHEMBL5757740

OCCNc1cccnn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 1/20 0.50
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 2/20 0.41
MAP4K4 O95819 4/20 0.39
CLK4 Q9HAZ1 3/20 0.39
ROCK2 O75116 3/20 0.39
GSK3B P49841 3/20 0.39
MINK1 Q8N4C8 2/20 0.39
JAK2 O60674 2/20 0.39
CLK2 P49760 2/20 0.39
DYRK1A Q13627 2/20 0.39
PIM1 P11309 2/20 0.39
CDK2 P24941 2/20 0.39
DYRK3 O43781 1/20 0.39
PRKD3 O94806 1/20 0.39
CDK1 P06493 1/20 0.39
AKT2 P31751 1/20 0.39

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
SCHEMBL10858333 0.80 GOT1 (0.50) GOT1JAK2P2RX7TYK2CYP2C19
SCHEMBL8170897 0.80 GOT1 (0.55) GOT1ALDH1A1MAP4K4CLK4ROCK2
SCHEMBL5940546 0.80 GOT1 (0.50) GOT1KDM4EALDH1A1PIM1P2RX7
SCHEMBL10858944 0.80 GOT1 (0.50) GOT1P2RX7CYP2C19
SCHEMBL5756006 0.78 IL1B (0.53) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL11324922 0.77 GOT1 (0.52) GOT1ALDH1A1STK17AP2RX7KARS1
SCHEMBL13356938 0.77 TLR8 (0.47) GOT1KDM4EALDH1A1MAPK1MAP4K4
Hydrochloric Acid SCHEMBL5756281 0.76 IL1B (0.51) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL4099219 0.76 KDM4E (0.40) KDM4EALDH1A1POLBGAAMAPK1
Hydrochloric Acid SCHEMBL8048735 0.76 GOT1 (0.50) GOT1ALDH1A1STK17AP2RX7KARS1

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
EP-1266651-B1 UV absorbing and photostabilizing agents and compositions and external preparation for skin SHISEIDO CO LTD (JP) 2006-09-06 EP disclosed
US-4569934-A ANTIANXIETY AGENTS AMERICAN CYANAMID COMPANY (US) 1986-02-11 US disclosed