SCHEMBL21394480

SCHEMBL21394480

Cn1cc(C(=O)Nc2ccc(Cc3ccc(F)c(F)c3)cn2)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
CREBBP Q92793 1/20 0.42
DEGS1 O15121 1/20 0.41
NTRK1 P04629 2/20 0.41
KDM4E B2RXH2 1/20 0.40
F10 P00742 3/20 0.40
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAOB P27338 1/20 0.40
BACE1 P56817 1/20 0.39
SCD O00767 1/20 0.39
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
GCK P35557 1/20 0.38
MET P08581 1/20 0.38
KLKB1 P03952 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL29357606 1.00 MAPT (0.44) MAPTCREBBPDEGS1NTRK1KDM4E
SCHEMBL29358634 0.92 CREBBP (0.42) MAPTCREBBPDEGS1NTRK1KDM4E
SCHEMBL21384385 0.92 CREBBP (0.42) MAPTCREBBPDEGS1NTRK1KDM4E
SCHEMBL21394761 0.91 MAOB (0.42) MAPTF10KCNQ3KCNQ2MAOB
SCHEMBL29357123 0.91 MAOB (0.42) MAPTF10KCNQ3KCNQ2MAOB
SCHEMBL21394842 0.90 SMN1; SMN2 (0.44) MAPTNTRK1KDM4EF10SCD
SCHEMBL29356712 0.90 SMN1; SMN2 (0.44) MAPTNTRK1KDM4EF10SCD
SCHEMBL21395106 0.89 SMN1; SMN2 (0.44) MAPTKDM4EKCNQ3KCNQ2SCD
SCHEMBL29358074 0.89 SMN1; SMN2 (0.44) MAPTKDM4EKCNQ3KCNQ2SCD
SCHEMBL21394784 0.88 GCK (0.44) MAPTCREBBPDEGS1NTRK1KDM4E

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