SCHEMBL30733261

SCHEMBL30733261

CCCCCCOc1cccc(OCCCCCC)c1-c1c2nc(c(C#Cc3ccc(N)cc3)c3ccc([nH]3)c(-c3c(OCCCCCC)cccc3OCCCCCC)c3nc(c(C#Cc4ccc(N)cc4)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 3/20 0.38
▸ IKBKB O14920 5/20 0.35
▸ TOP1 P11387 1/20 0.35
▸ PDE5A O76074 3/20 0.34
▸ PDE4A P27815 2/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ PDE4C Q08493 2/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ TLR8 Q9NR97 2/20 0.34
▸ TSHR P16473 1/20 0.33
▸ NOS1 P29475 1/20 0.32
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL30733272 0.95 MCHR1 (0.35) MCHR1IKBKBTOP1PDE5APDE4A
SCHEMBL30733436 0.93 TOP1 (0.39) TOP1TSHR
SCHEMBL30733249 0.87 TOP1 (0.43) TOP1TSHR
SCHEMBL29140522 0.78 IKBKB (0.32) MCHR1IKBKBPDE5APDE4APDE4B
SCHEMBL29367085 0.78 TOP1 (0.38) TOP1TSHRMEN1MAPTKMT2A
SCHEMBL30733299 0.78 PDE5A (0.40) MCHR1IKBKBPDE5APDE4APDE4B
SCHEMBL30469523 0.77 TP53 (0.38) TOP1TSHR
SCHEMBL29140520 0.76 ALDH1A1 (0.33) TSHR
SCHEMBL1308810 0.73 PDE5A (0.54) MCHR1PDE5APDE4APDE4BPDE4C
SCHEMBL30733335 0.72 STAT3 (0.47) MCHR1IKBKBPDE5APDE4APDE4B

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
CN-117425361-A Porphyrin passivation perovskite nano film material and preparation and application thereof 同济大学 2024-01-19 — — CN claimed
CN-117425361-A Porphyrin passivation perovskite nano film material and preparation and application thereof 同济大学 2024-01-19 — — CN disclosed
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