SCHEMBL21394625

SCHEMBL21394625

CCn1nc(C(=O)Nc2ccc(Cc3ccc(Cl)c(Cl)c3)cn2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.45
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 3/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.38
THRB P10828 1/20 0.38
IKBKB O14920 1/20 0.37
TP53 P04637 2/20 0.37
FSCN1 Q16658 1/20 0.37
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL29359042 1.00 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1TSHRLMNA
SCHEMBL29358443 0.88 RAB9A (0.46) SMN1; SMN2RAB9ANPC1TSHRLMNA
SCHEMBL21394481 0.88 RAB9A (0.46) SMN1; SMN2RAB9ANPC1TSHRLMNA
SCHEMBL21384506 0.85 ABCC8 (0.50) SMN1; SMN2RAB9ANPC1TSHRLMNA
SCHEMBL29358498 0.85 ABCC8 (0.50) SMN1; SMN2RAB9ANPC1TSHRLMNA
SCHEMBL21394482 0.80 ABCC8 (0.38) SMN1; SMN2RAB9ANPC1TSHRLMNA
SCHEMBL29355390 0.80 ABCC8 (0.38) SMN1; SMN2RAB9ANPC1TSHRLMNA
SCHEMBL21394832 0.79 L3MBTL1 (0.47) SMN1; SMN2RAB9ANPC1TSHRLMNA
SCHEMBL29356645 0.79 L3MBTL1 (0.47) SMN1; SMN2RAB9ANPC1TSHRLMNA
SCHEMBL21394863 0.78 ABCC8 (0.49) SMN1; SMN2RAB9ANPC1TSHRLMNA

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