SCHEMBL29670977

SCHEMBL29670977

COc1ccc2c(c1)NCCN2C(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.50
HTR2C P28335 1/20 0.47
NPC1 O15118 4/20 0.45
MAPT P10636 4/20 0.45
RAB9A P51151 2/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
MAOB P27338 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL28719373 1.00 EPHX2 (0.50) EPHX2HTR2CNPC1MAPTRAB9A
SCHEMBL28719380 0.90 MAPT (0.55) NPC1MAPTRAB9APKMNFKB1
SCHEMBL29670976 0.90 MAPT (0.55) NPC1MAPTRAB9APKMNFKB1
SCHEMBL28722560 0.87 MAPT (0.48) NPC1MAPTRAB9APKMNFKB1
SCHEMBL29670964 0.87 MAPT (0.48) NPC1MAPTRAB9APKMNFKB1
SCHEMBL29670991 0.86 MAPT (0.47) NPC1MAPTRAB9APKMNFKB1
SCHEMBL28719012 0.86 MAPT (0.47) NPC1MAPTRAB9APKMNFKB1
SCHEMBL28718271 0.83 MAPT (0.49) NPC1MAPTRAB9APKMNFKB1
SCHEMBL28719037 0.82 ALDH1A1 (0.57) NPC1MAPTRAB9APKMSMN1; SMN2
SCHEMBL29670982 0.82 ALDH1A1 (0.57) NPC1MAPTRAB9APKMSMN1; 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 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