SCHEMBL21394492

SCHEMBL21394492

O=C(Nc1ccc(Cc2cccc(F)c2)cn1)c1ccc2nncn2c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 16/20 0.54
MLLT3 P42568 4/20 0.52
MAOB P27338 1/20 0.45
NAMPT P43490 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
YEATS2 Q9ULM3 1/20 0.43

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
SCHEMBL29357009 1.00 MLLT1 (0.54) MLLT1MLLT3MAOBNAMPTNPC1
SCHEMBL29359205 0.91 MLLT1 (0.55) MLLT1MLLT3MAOBNAMPTYEATS2
SCHEMBL21395204 0.91 MLLT1 (0.55) MLLT1MLLT3MAOBNAMPTYEATS2
SCHEMBL21394869 0.89 MLLT1 (0.62) MLLT1MLLT3MAOBNAMPTALDH1A1
SCHEMBL29357058 0.89 MLLT1 (0.62) MLLT1MLLT3MAOBNAMPTALDH1A1
SCHEMBL21394833 0.89 MLLT1 (0.53) MLLT1MLLT3MAOBNAMPTYEATS2
SCHEMBL29355448 0.89 MLLT1 (0.53) MLLT1MLLT3MAOBNAMPTYEATS2
SCHEMBL21394870 0.86 MAOB (0.52) MLLT1MLLT3MAOBNAMPTYEATS2
SCHEMBL29356686 0.86 MAOB (0.52) MLLT1MLLT3MAOBNAMPTYEATS2
SCHEMBL21394498 0.86 NAMPT (0.48) MAOBNAMPTNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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