SCHEMBL26518596

SCHEMBL26518596

c1ccc2c(c1)oc1cc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4c(c3)n3c5ccccc5c5ccc6c7ccccc7n4c6c53)ccc12

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AHR P35869 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL26518810 0.96 MAPT (0.32) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26518586 0.95 AHR (0.32) ALDH1A1MAPTHPGDAHRKDM4E
SCHEMBL26518557 0.93 NPC1 (0.31) RAB9A
SCHEMBL26519704 0.93 NPC1 (0.32) RAB9A
SCHEMBL26518821 0.93 KDM4E (0.32) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26518988 0.90
SCHEMBL26518581 0.90 AHR (0.39) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26519947 0.90 ALDH1A1 (0.39) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26518584 0.89 MAPT (0.36) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26519250 0.88

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
WO-2023185039-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS COMPRISING SAME 陕西莱特光电材料股份有限公司 2023-10-05 WO disclosed