SCHEMBL21394466

SCHEMBL21394466

O=C(Nc1ccc(Cc2cccc(Cl)c2)cn1)c1ccc(CO)nc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
F10 P00742 8/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
P4HTM Q9NXG6 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GCK P35557 1/20 0.42
KLKB1 P03952 2/20 0.42

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
SCHEMBL29356935 1.00 ALDH1A1 (0.48) ALDH1A1F10MEN1KMT2ASMN1; SMN2
SCHEMBL29357095 0.91 F10 (0.53) ALDH1A1F10MEN1KMT2ASMN1; SMN2
SCHEMBL21394880 0.91 F10 (0.53) ALDH1A1F10MEN1KMT2ASMN1; SMN2
SCHEMBL21394891 0.88 ALDH1A1 (0.47) ALDH1A1F10MEN1KMT2ASMN1; SMN2
SCHEMBL29356665 0.88 ALDH1A1 (0.47) ALDH1A1F10MEN1KMT2ASMN1; SMN2
SCHEMBL21394624 0.87 NPC1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL29358776 0.87 NPC1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL21395193 0.87 ALDH1A1 (0.50) ALDH1A1F10MEN1KMT2ASMN1; SMN2
SCHEMBL21394659 0.86 HDAC3 (0.45) ALDH1A1F10KMT2ASMN1; SMN2NPC1
SCHEMBL29356271 0.86 HDAC3 (0.45) ALDH1A1F10KMT2ASMN1; SMN2NPC1

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