SCHEMBL20731982

SCHEMBL20731982

Cc1ccc2c(N)c(N)sc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
IKBKB O14920 1/20 0.60
LIMK1 P53667 1/20 0.60
MAPT P10636 5/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 2/20 0.53
HPGD P15428 3/20 0.50
GAA P10253 2/20 0.50
HSD17B10 Q99714 2/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
USP28 Q96RU2 8/20 0.41
USP25 Q9UHP3 8/20 0.41

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
SCHEMBL20731005 0.84 ALDH1A1 (0.62) ALDH1A1KDM4ESMN1; SMN2IKBKBLIMK1
SCHEMBL19267554 0.78 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2IKBKBLIMK1
SCHEMBL20732193 0.78 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2IKBKBLIMK1
SCHEMBL11486062 0.77 ALDH1A1 (1.00) ALDH1A1KDM4ESMN1; SMN2IKBKBLIMK1
SCHEMBL21704293 0.77 IKBKB (0.56) ALDH1A1KDM4ESMN1; SMN2IKBKBLIMK1
SCHEMBL20731630 0.76 KDM4E (0.38) ALDH1A1KDM4ESMN1; SMN2IKBKBLIMK1
SCHEMBL20731980 0.76 USP28 (0.39) ALDH1A1KDM4ESMN1; SMN2IKBKBLIMK1
SCHEMBL12562427 0.75 LIMK1 (0.77) ALDH1A1KDM4ESMN1; SMN2IKBKBLIMK1
SCHEMBL19212039 0.75 LIMK1 (0.77) ALDH1A1KDM4ESMN1; SMN2IKBKBLIMK1
SCHEMBL29707312 0.75 LIMK1 (0.77) ALDH1A1KDM4ESMN1; SMN2IKBKBLIMK1

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-2020033707-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2020-02-13 WO disclosed
WO-2019032863-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2019-02-14 WO disclosed