SCHEMBL21394413

SCHEMBL21394413

Cn1cc(C(=O)Nc2ccc(Cc3cccc(F)c3)cc2)ccc1=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.55
SNCA P37840 1/20 0.48
MAPT P10636 6/20 0.47
TP53 P04637 5/20 0.46
NAMPT P43490 1/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.44
HASPIN Q8TF76 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
FFAR1 O14842 1/20 0.42
THRA P10827 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
SCHEMBL29353926 1.00 CREBBP (0.55) CREBBPSNCAMAPTTP53NAMPT
SCHEMBL29356936 0.84 NPC1 (0.46) CREBBPSNCATP53ALDH1A1NPC1
SCHEMBL21394601 0.84 NPC1 (0.46) CREBBPSNCATP53ALDH1A1NPC1
SCHEMBL21394445 0.80 CREBBP (0.45) CREBBPSNCATP53NPC1RAB9A
SCHEMBL29357564 0.80 CREBBP (0.45) CREBBPSNCATP53NPC1RAB9A
SCHEMBL21394531 0.79 MEN1 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL29354577 0.79 TSHR (0.55) MAPTTP53ALDH1A1NPC1RAB9A
SCHEMBL21394919 0.79 TSHR (0.55) MAPTTP53ALDH1A1NPC1RAB9A
SCHEMBL21394526 0.79 SCD (0.60) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16672388 0.74 CREBBP (0.55) CREBBPMAPTALDH1A1NPC1RAB9A

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