SCHEMBL9448317

SCHEMBL9448317

COc1cc2c(c(OC)c1OC)CCC=C2C#N

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
ADORA1 P30542 1/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL10753396 0.83
SCHEMBL610655 0.81 KDM4E (0.51) KDM4E
SCHEMBL1669168 0.81 KDM4E (0.46) KDM4EMEN1MAPTKMT2AMAPK1
SCHEMBL9448394 0.78 KDM4E (0.37) KDM4EMEN1MAPTKMT2AATM
SCHEMBL2778058 0.77 ALDH1A1 (0.40) KDM4EMEN1MAPTKMT2AMAPK1
SCHEMBL10835651 0.76 KDM4E (0.38) KDM4EMEN1MAPTKMT2AATM
SCHEMBL10749319 0.76 DRD2 (0.36)
SCHEMBL9448055 0.75 SIGMAR1 (0.41) KDM4EMAPTLMNAPOLB
SCHEMBL9448099 0.75 KDM4E (0.35) KDM4EATMPOLBTDP1MAPK1
SCHEMBL5011572 0.74 KDM4E (0.43) KDM4EMEN1MAPTKMT2ALMNA

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
US-5248677-A Nervous system disorders or antidepressants ABBOTT LABORATORIES (US) 1993-09-28 US disclosed
US-5180733-A Antidepressants or nervous systen disorders ABBOTT LABORATORIES (US) 1993-01-19 US disclosed
EP-0461353-A1 Biogenic amine uptake inhibitors ABBOTT LABORATORIES (US) 1991-12-18 EP disclosed