SCHEMBL29978715

SCHEMBL29978715

O=C(CN1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1)Nc1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 2/20 0.39
PKM P14618 1/20 0.39
HDAC4 P56524 1/20 0.38
TSHR P16473 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL29977813 0.91 L3MBTL1 (0.52) MAPTL3MBTL1ALDH1A1TP53POLB
SCHEMBL29977954 0.89 KMT2A (0.47) MAPTALDH1A1POLBHDAC4TSHR
SCHEMBL29978163 0.87 PRMT5 (0.44) MAPTALDH1A1TP53POLBHDAC4
SCHEMBL29977870 0.86 TAS1R3 (0.45) MAPTRAB9AALDH1A1TP53POLB
SCHEMBL29978226 0.85 L3MBTL1 (0.52) MAPTL3MBTL1ALDH1A1POLBHDAC4
SCHEMBL29978399 0.85 HDAC4 (0.45) MAPTRAB9AALDH1A1POLBHDAC4
SCHEMBL29978607 0.85 HDAC6 (0.43) RAB9AHDAC4HDAC6MEN1KMT2A
SCHEMBL29978125 0.84 KMT2A (0.48) MAPTRAB9AALDH1A1POLBHDAC4
SCHEMBL29978367 0.84 SMN1; SMN2 (0.43) MAPTALDH1A1TP53HDAC4HDAC6
SCHEMBL29978433 0.84 HDAC4 (0.41) MAPTALDH1A1HDAC4HDAC6MEN1

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