SCHEMBL11515908

SCHEMBL11515908

CCN(CC)c1cc(C)nc(O)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.44
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 3/20 0.40
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL11514316 0.77 MEN1 (0.57) KMT2A
SCHEMBL3407231 0.76 KMT2A (0.62) CRHR1KDM4EKMT2ALMNACYP1A2
SCHEMBL12250813 0.75 KMT2A (0.44) CRHR1KDM4EKMT2ALMNACYP1A2
SCHEMBL891790 0.72
SCHEMBL1424802 0.71 CRHR1 (0.43) CRHR1KDM4EKMT2AADORA2AADORA1
Hydrochloric Acid SCHEMBL2845698 0.70 POLB (0.46) KDM4EKMT2ALMNAMAPK1ALDH1A1
Propane SCHEMBL10920887 0.70 KMT2A (0.49) CRHR1KDM4EKMT2AADORA2AADORA1
Hydrochloric Acid SCHEMBL1425014 0.69 CRHR1 (0.42) CRHR1KDM4EKMT2AADORA2AADORA1
SCHEMBL25946214 0.69 CRHR1 (0.41) CRHR1LMNA
SCHEMBL11514859 0.68 LATS1 (0.48) CRHR1KDM4EKMT2ALMNAALDH1A1

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-4168304-A ARTHROPODICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-09-18 US disclosed
US-4162320-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-07-24 US disclosed