SCHEMBL29065083

SCHEMBL29065083

O=C(NCc1cnc(-c2cc3c(Br)cccc3n2C(F)C(F)F)s1)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
OGA O60502 1/20 0.35
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
CFD P00746 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
LIMK1 P53667 1/20 0.33
LIMK2 P53671 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CHRM4 P08173 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
JAK2 O60674 1/20 0.32

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
SCHEMBL29065025 0.83 MKNK1 (0.35) OGACFDALDH1A1
SCHEMBL24035847 0.83 KMT2A (0.35) POLBKMT2AOGACCNKCDK12
SCHEMBL29064951 0.81
SCHEMBL29065077 0.79 MAPT (0.33) ALDH1A1
SCHEMBL29065043 0.75 CYP1B1 (0.38)
SCHEMBL29064928 0.74
SCHEMBL29065165 0.73 CDC7 (0.44) OGAALDH1A1TSHRHSD17B10HPGD
SCHEMBL29064988 0.73 SLC5A7 (0.38) KMT2A
SCHEMBL24147625 0.72 KMT2A (0.35) POLBKMT2AOGACCNKCDK12
SCHEMBL29065134 0.69 LMNA (0.36) KMT2A

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-116710430-A Methods and compounds for restoring mutant p53 function 皮姆维制药公司 2023-09-05 CN disclosed