SCHEMBL29670973

SCHEMBL29670973

COc1ccc2c(c1)NCCN2C(=O)Nc1c(C)cccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.43
POLB P06746 1/20 0.43
AVPR1A P37288 4/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 2/20 0.42
GPR6 P46095 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
ADAM17 P78536 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL28722558 1.00 MMP2 (0.43) MMP2POLBAVPR1AALDH1A1MAPK1
SCHEMBL29670970 0.88 KMT2A (0.51) MMP2AVPR1AALDH1A1MAPTMEN1
SCHEMBL28718270 0.88 KMT2A (0.51) MMP2AVPR1AALDH1A1MAPTMEN1
SCHEMBL28719037 0.85 ALDH1A1 (0.57) POLBALDH1A1MAPK1MAPTLMNA
SCHEMBL29670982 0.85 ALDH1A1 (0.57) POLBALDH1A1MAPK1MAPTLMNA
SCHEMBL29670976 0.83 MAPT (0.55) MMP2ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL28719380 0.83 MAPT (0.55) MMP2ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL29670964 0.83 MAPT (0.48) MMP2ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL28722560 0.83 MAPT (0.48) MMP2ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL29670966 0.82 MAPT (0.57) POLBALDH1A1MAPK1MAPTTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114276303-B Ureido compounds or pharmaceutically acceptable salts thereof, and preparation method and application thereof 河南大学 2023-09-22 CN disclosed
CN-114276303-A Ureido compound or its medicinal salt and its preparing process and application 河南大学 2022-04-05 CN disclosed