SCHEMBL21394767

SCHEMBL21394767

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HIF1A Q16665 1/20 0.45
SNCA P37840 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
F10 P00742 2/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ABL1 P00519 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 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
SCHEMBL29358525 1.00 ALDH1A1 (0.47) ALDH1A1HIF1ASNCALMNAMEN1
SCHEMBL21394749 0.88 ALDH1A1 (0.43) ALDH1A1HIF1ASNCALMNAMEN1
SCHEMBL29357039 0.88 ALDH1A1 (0.43) ALDH1A1HIF1ASNCALMNAMEN1
SCHEMBL21394728 0.86 ALDH1A1 (0.49) ALDH1A1LMNAMEN1KMT2AF10
SCHEMBL21395174 0.86 HCAR2 (0.46) ALDH1A1HIF1ASNCALMNAMEN1
SCHEMBL21394700 0.85 ALDH1A1 (0.46) ALDH1A1HIF1ASNCALMNAMEN1
SCHEMBL21394753 0.85 SIRT2 (0.56) ALDH1A1HIF1ASNCAMEN1KMT2A
SCHEMBL21395090 0.85 ALDH1A1 (0.51) ALDH1A1LMNAMEN1KMT2AF10
SCHEMBL21395073 0.85 ALDH1A1 (0.48) ALDH1A1LMNAMEN1KMT2AF10
SCHEMBL29358142 0.85 SIRT2 (0.56) ALDH1A1HIF1ASNCAMEN1KMT2A

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 9 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
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP 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-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