SCHEMBL29977813

SCHEMBL29977813

O=C(CN1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1)Nc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.52
ALDH1A1 P00352 7/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HDAC4 P56524 3/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL29978715 0.91 MAPT (0.42) L3MBTL1ALDH1A1MEN1KMT2ATAAR1
SCHEMBL29978226 0.91 L3MBTL1 (0.52) L3MBTL1ALDH1A1MEN1KMT2ATAAR1
SCHEMBL29978399 0.89 HDAC4 (0.45) ALDH1A1MEN1KMT2ATAAR1HDAC4
SCHEMBL29978280 0.89 POLB (0.47) L3MBTL1ALDH1A1MEN1KMT2AHDAC4
SCHEMBL29978759 0.87 HDAC6 (0.39) L3MBTL1HDAC4TP53MAPTKDM4E
SCHEMBL29977954 0.87 KMT2A (0.47) ALDH1A1MEN1KMT2AHDAC4MAPT
SCHEMBL29978163 0.86 PRMT5 (0.44) ALDH1A1MEN1KMT2AHDAC4TP53
SCHEMBL29978125 0.85 KMT2A (0.48) ALDH1A1MEN1KMT2ATAAR1HDAC4
SCHEMBL29978367 0.85 SMN1; SMN2 (0.43) ALDH1A1MEN1KMT2AHDAC4TP53
SCHEMBL29978433 0.85 HDAC4 (0.41) ALDH1A1MEN1KMT2AHDAC4MAPT

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
WO-2022234470-A1 NOVEL FUSED HETEROCYCLIC COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD. (IN) 2022-11-10 WO claimed
WO-2022234470-A1 NOVEL FUSED HETEROCYCLIC COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD. (IN) 2022-11-10 WO disclosed