SCHEMBL29396830

SCHEMBL29396830

O=C(Nc1cc[nH]n1)OCC(Cl)(Cl)Cl

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRA6 Q16445 1/20 0.33
KMT2A Q03164 3/20 0.32
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL28845790 0.79 KMT2A (0.51) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL3767288 0.74 CTSK (0.45) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL29777624 0.74 POLB (0.56) ALDH1A1POLBNPC1TP53RAB9A
SCHEMBL3766250 0.74 GAA (0.54) KMT2ANPC1TP53RAB9ASMN1; SMN2
SCHEMBL3272690 0.73 FFAR2 (0.41) KMT2AMEN1
SCHEMBL3766245 0.73 CHRNB2 (0.41) POLBNLRP3
SCHEMBL1609995 0.72 CYP17A1 (0.40) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3768072 0.72 ALDH1A1 (0.37) ALDH1A1POLBGABRA1GABRG2GABRB3
SCHEMBL6917924 0.71 ALDH1A1 (0.47) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL3760987 0.71 POLB (0.56) ALDH1A1POLBKMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114144410-A Polyarylurea derivatives and their use in the treatment of muscular diseases 阿纳格纳斯生物技术股份有限公司 2022-03-04 CN disclosed