SCHEMBL11832005

SCHEMBL11832005

CN(C)CCn1c2ccc(N)cc2c2cc(Cl)ccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HBB P68871 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ TOP1 P11387 1/20 0.41
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ PTGER4 P35408 1/20 0.40
▸ WEE1 P30291 2/20 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
Hydrochloric Acid SCHEMBL11828036 0.99 KDM4E (0.43) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL11510880 0.92 MPO (0.48) KDM4EMEN1ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL11824254 0.90 MPO (0.49) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL11822106 0.84 MAPT (0.50) KDM4EMAPTHTTPSEN1PSEN2
SCHEMBL11755867 0.84 MAPT (0.65) KDM4EMEN1ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL11828278 0.82 ALDH1A1 (0.63) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL11277311 0.80 MAPT (0.68) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL6610203 0.78 RAD52 (0.55) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL11825503 0.77 MAPT (0.55) MEN1ALDH1A1MAPTHTTKMT2A
SCHEMBL5446951 0.75 RAD52 (0.42) KDM4EMEN1ALDH1A1MAPTHPGD

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-3975398-A INDICATOR FOR DETERMINATION OF GLUCOSE BOEHRINGER MANNHEIM G.M.B.H. (DT) 1976-08-17 — — US claimed
US-3988208-A FOR GLUCOSE BOEHRINGER MANNHEIM G.M.B.H. (DT) 1976-10-26 — — US disclosed
US-3975398-A INDICATOR FOR DETERMINATION OF GLUCOSE BOEHRINGER MANNHEIM G.M.B.H. (DT) 1976-08-17 — — US disclosed
Send feedback