SCHEMBL29358552

SCHEMBL29358552

CCn1cc(C(=O)Nc2ccc(Cc3cccc(F)c3)cn2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.46
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
PKM P14618 2/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX5 P09917 1/20 0.42
TBXAS1 P24557 1/20 0.42
EPHX2 P34913 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 1/20 0.42
BRD4 O60885 2/20 0.41
BRD2 P25440 1/20 0.41

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
SCHEMBL21384386 1.00 TP53 (0.46) TP53NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21394397 0.91 MAPT (0.44) TP53KDM4EALOX5TBXAS1EPHX2
SCHEMBL21394684 0.89 KDM4E (0.49) TP53NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL29357290 0.89 ALDH1A1 (0.53) TP53ALDH1A1MEN1KMT2AMAPT
SCHEMBL21394683 0.89 ALDH1A1 (0.53) TP53ALDH1A1MEN1KMT2AMAPT
SCHEMBL21394394 0.88 MAPT (0.50) TP53KDM4EALOX5TBXAS1EPHX2
SCHEMBL29356936 0.88 NPC1 (0.46) TP53NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21394601 0.88 NPC1 (0.46) TP53NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21394451 0.86 MAPT (0.46) TP53NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL29356581 0.86 MAPT (0.46) TP53NPC1RAB9AALDH1A1SMN1; 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 5 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