SCHEMBL11047374

SCHEMBL11047374

ClCCOc1nc(Cl)nc2ccc(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.41
MAT2A P31153 1/20 0.38
TNF P01375 1/20 0.38
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPK1 P28482 2/20 0.37
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NR4A2 P43354 1/20 0.36
DHODH Q02127 1/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSP90AB1 P08238 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35

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
SCHEMBL10753288 0.77 MAT2A (0.49) MAT2ATSHRKDM4EMAPK1HSP90AB1
SCHEMBL22393655 0.72 HTT (0.51) TNFHTTDHODHMAPTLMNA
SCHEMBL8013228 0.70 PDE5A (0.52) POLBTSHRKDM4EHTTSMN1; SMN2
SCHEMBL405341 0.70 KDM4E (0.44) MAT2AGAAKDM4EMAPK1NPC1
SCHEMBL30013869 0.70 KDM4E (0.44) MAT2AGAAKDM4EMAPK1NPC1
SCHEMBL15537639 0.70 PDE10A (0.42) NPC1RAB9A
SCHEMBL20561018 0.67 DHODH (0.42) MAT2AGAAKDM4EMAPK1NPC1
SCHEMBL8361293 0.67 ALDH1A1 (0.42) GAAPOLBKDM4EMAPK1NPC1
SCHEMBL21500731 0.67 HTT (0.68) HTTNR4A2HSP90AB1ALDH1A1
SCHEMBL14189290 0.67 MPO (0.57) MAT2APOLBKDM4ENPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4451448-A 1-Substituted tricyclic quinazolinones useful as tranquilizers SANDOZ, INC. (US) 1984-05-29 US disclosed