SCHEMBL22732834

SCHEMBL22732834

CCc1c(C)nc(-c2ccc(OC(C)C)cc2)nc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ POLB P06746 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ACACB O00763 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ RXRA P19793 3/20 0.37
▸ NR4A2 P43354 3/20 0.37
▸ NOTUM Q6P988 1/20 0.37

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
SCHEMBL22732754 0.86 KMT2A (0.43) MAPTLMNAACACBTP53KMT2A
SCHEMBL22745802 0.80 RXRA (0.47) MAPTACACBTP53KMT2AMCL1
SCHEMBL22712504 0.75 KMT2A (0.56) MAPTLMNAACACBTP53KMT2A
SCHEMBL8270868 0.74 PARP10 (0.38) MAPTHPGDACACBTP53KMT2A
SCHEMBL22732764 0.73 KDM4E (0.40) MAPTACACBTP53KMT2AKDM4E
SCHEMBL22712537 0.73 KMT2A (0.45) MAPTHPGDTSHRPOLBLMNA
SCHEMBL23605226 0.71 RXRA (0.40) MAPTHPGDPOLBTP53KMT2A
SCHEMBL22712499 0.71 ALDH1A1 (0.67) MAPTHPGDHTTLMNAKMT2A
SCHEMBL1321790 0.71 NPSR1 (0.37) MAPTHPGDHTTPOLBL3MBTL1
SCHEMBL26228637 0.70 KMT2A (0.44) MAPTPOLBLMNAACACBTP53

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
WO-2020243155-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS GENENTECH, INC. (US) 2020-12-03 — — WO disclosed
Send feedback