SCHEMBL21394972

SCHEMBL21394972

CN1CCCC(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)=N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.53
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
ABL1 P00519 4/20 0.48
LMNA P02545 4/20 0.48
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ITK Q08881 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL29353730 1.00 SCD (0.53) SCDRAB9ANPC1KMT2AMEN1
SCHEMBL29353798 0.86 SCD (0.52) SCDRAB9ANPC1KMT2AMEN1
SCHEMBL21394882 0.86 SCD (0.52) SCDRAB9ANPC1KMT2AMEN1
SCHEMBL21394430 0.83 SCD (0.51) SCDRAB9ANPC1KMT2AMEN1
SCHEMBL22479450 0.83 SCD (0.49) SCDRAB9ANPC1KMT2AMEN1
SCHEMBL21394484 0.82 SCD (0.52) SCDRAB9ANPC1KMT2AMEN1
SCHEMBL24953658 0.80 SCD (0.51) SCDRAB9ANPC1KMT2AMEN1
SCHEMBL29799759 0.80 SCD (0.51) SCDRAB9ANPC1KMT2AMEN1
SCHEMBL24953914 0.80 SCD (0.51) SCDRAB9ANPC1KMT2AMEN1
SCHEMBL29799580 0.80 SCD (0.51) SCDRAB9ANPC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed