SCHEMBL8763159

SCHEMBL8763159

CC=Cc1nccn1CC(C)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.35
AGER Q15109 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL2560497 0.81 KDM4E (0.39) KDM4EADORA2AADORA1KMT2AMEN1
SCHEMBL28582151 0.77 KMT2A (0.36) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL440678 0.77 KMT2A (0.53) KDM4EKMT2AMEN1ALDH1A1HPGD
SCHEMBL8763026 0.76 FPR2 (0.33) KMT2AALDH1A1SMN1; SMN2LMNAPOLB
Hydrochloric Acid SCHEMBL28475833 0.75 TLR8 (0.36) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
Bromide SCHEMBL28409162 0.75 KMT2A (0.35) KMT2AALDH1A1MAPTPOLB
SCHEMBL8958681 0.70 ALPG (0.42) KDM4EADORA2AADORA1ALDH1A1MAPT
SCHEMBL18016417 0.70 BRD4 (0.42) KDM4EKMT2AMEN1ALDH1A1HPGD
Acetic Acid SCHEMBL28921072 0.70 SMN1; SMN2 (0.36) KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL28724246 0.69 ALDH1A1 (0.35) KMT2AALDH1A1SMN1; SMN2POLB

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-0783589-A1 TRANSPORTABILITY IMPROVER FOR PULVERIZED COAL Kao Corporation (JP) 1997-07-16 EP disclosed
WO-1996010093-A1 TRANSPORTABILITY IMPROVER FOR PULVERIZED COAL KAO CORPORATION (JP) 1996-04-04 WO disclosed
US-4663061-A Metal-working oil composition KAO CORPORATION (JP) 1987-05-05 US disclosed