SCHEMBL24818801

SCHEMBL24818801

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(C=O)ccc3o2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UTRN P46939 1/20 0.38
▸ MAPT P10636 8/20 0.36
▸ RAB9A P51151 6/20 0.36
▸ KDM4E B2RXH2 6/20 0.36
▸ NPC1 O15118 5/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ NFKB2 Q00653 2/20 0.36
▸ RELA Q04206 2/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ HPSE Q9Y251 4/20 0.36
▸ HPGD P15428 6/20 0.35
▸ GLA P06280 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TP53 P04637 4/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL30153038 0.93 UTRN (0.38) UTRNMAPTRAB9AKDM4ENPC1
SCHEMBL24818786 0.93 UTRN (0.38) UTRNMAPTRAB9AKDM4ENPC1
SCHEMBL30153171 0.89 CASP3 (0.42) MAPTRAB9AKDM4ENPC1ALDH1A1
SCHEMBL24820705 0.89 CASP3 (0.42) MAPTRAB9AKDM4ENPC1ALDH1A1
SCHEMBL30153031 0.87 VSIR (0.36) RAB9ANPC1HPGDTP53LMNA
SCHEMBL30153060 0.87 UTRN (0.35) UTRNMAPTRAB9AKDM4ENPC1
SCHEMBL24819012 0.87 HPGD (0.40) MAPTRAB9ANPC1HPGDTP53
SCHEMBL24820553 0.87 UTRN (0.35) UTRNMAPTRAB9AKDM4ENPC1
SCHEMBL24818959 0.87 VSIR (0.36) RAB9ANPC1HPGDTP53LMNA
SCHEMBL24820101 0.87 HDAC3 (0.33) UTRNHDAC3HDAC1HDAC2HDAC8

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
EP-4359381-A1 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2024-05-01 — — EP disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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