SCHEMBL20511198

SCHEMBL20511198

Cc1ccc(CNc2nc(Cl)nc(Cl)n2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ HBB P68871 1/20 0.46
▸ NFKB1 P19838 1/20 0.45
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 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
SCHEMBL18062216 0.81 PIK3CA (0.47) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL20511207 0.79 DCTPP1 (0.52) NFKB1LMNAP2RX7
SCHEMBL12963745 0.75 CA12 (0.58) NPC1RAB9ACA12CA1CA2
SCHEMBL3789793 0.73 P2RX7 (0.47) MAPTKMT2AGAANFKB1LMNA
SCHEMBL8973681 0.72 NPC1 (0.56) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL14504152 0.72 LMNA (0.53) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL15476680 0.72 KDM4E (0.53) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL11046759 0.71 HDAC1 (0.47) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL1872934 0.70 KDM4E (0.51) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL3788149 0.70 CD38 (0.46) NFKB1LMNAP2RX7

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
WO-2020146779-A1 mTORC1 INHIBITORS FOR ACTIVATING AUTOPHAGY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-07-16 — — WO disclosed
WO-2018175958-A1 THIOREDOXIN MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-09-27 — — WO disclosed
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