SCHEMBL21394578

SCHEMBL21394578

Cn1nc(C(=O)Nc2ccc(Cc3ccc(F)c(F)c3)cn2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 2/20 0.43
NTRK1 P04629 1/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
CACNA1H O95180 1/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.38
GRM5 P41594 1/20 0.38
RIPK1 Q13546 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
SCHEMBL29355468 1.00 L3MBTL1 (0.46) L3MBTL1TSHRNTRK1RAB9ASMN1; SMN2
SCHEMBL21394966 0.93 L3MBTL1 (0.41) L3MBTL1TSHRNTRK1RAB9ASMN1; SMN2
SCHEMBL21394832 0.92 L3MBTL1 (0.47) L3MBTL1TSHRNTRK1RAB9ASMN1; SMN2
SCHEMBL29356645 0.92 L3MBTL1 (0.47) L3MBTL1TSHRNTRK1RAB9ASMN1; SMN2
SCHEMBL21394634 0.92 TSHR (0.43) L3MBTL1TSHRNTRK1RAB9ASMN1; SMN2
SCHEMBL21395192 0.90 L3MBTL1 (0.43) L3MBTL1TSHRNTRK1RAB9ASMN1; SMN2
SCHEMBL21395145 0.90 L3MBTL1 (0.43) L3MBTL1TSHRNTRK1RAB9ASMN1; SMN2
SCHEMBL21394572 0.88 TSHR (0.44) L3MBTL1TSHRNTRK1RAB9ASMN1; SMN2
SCHEMBL29357109 0.88 TSHR (0.44) L3MBTL1TSHRNTRK1RAB9ASMN1; SMN2
SCHEMBL21394742 0.88 MAPT (0.44) L3MBTL1TSHRNTRK1RAB9ASMN1; SMN2

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