SCHEMBL21394825

SCHEMBL21394825

Cn1cc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CREBBP Q92793 1/20 0.45
F10 P00742 10/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KLKB1 P03952 3/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 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
SCHEMBL29356860 1.00 ALDH1A1 (0.48) ALDH1A1CREBBPF10MEN1KMT2A
SCHEMBL21394506 0.90 RAB9A (0.49) ALDH1A1F10KMT2AKLKB1LMNA
SCHEMBL21394682 0.88 ALDH1A1 (0.47) ALDH1A1F10MEN1KMT2AKLKB1
SCHEMBL29357290 0.88 ALDH1A1 (0.53) ALDH1A1F10MEN1KMT2AKLKB1
SCHEMBL29354654 0.88 ALDH1A1 (0.47) ALDH1A1F10MEN1KMT2AKLKB1
SCHEMBL21394683 0.88 ALDH1A1 (0.53) ALDH1A1F10MEN1KMT2AKLKB1
SCHEMBL21394636 0.88 F10 (0.43) ALDH1A1CREBBPF10KMT2AKLKB1
SCHEMBL21394601 0.88 NPC1 (0.46) ALDH1A1CREBBPMEN1KMT2ATSHR
SCHEMBL21395017 0.88 ALDH1A1 (0.48) ALDH1A1F10MEN1KMT2AKLKB1
SCHEMBL29356936 0.88 NPC1 (0.46) ALDH1A1CREBBPMEN1KMT2ATSHR

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