SCHEMBL18798802

SCHEMBL18798802

NC(=O)Cc1cccc(CCCCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
IGF1R P08069 1/20 0.49
ALOX15 P16050 1/20 0.49
HDAC1 Q13547 5/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL5020719 0.87 MAOB (0.55) LMNAMAPTRXFP1HDAC1HDAC2
SCHEMBL18798798 0.85 MAPT (0.58) LMNAMAPTRXFP1HDAC1HDAC2
SCHEMBL10339219 0.84 CA2 (0.54) LMNAMAPK1HTR3AHPGDNPC1
SCHEMBL5020711 0.83 CA2 (0.55) LMNAMAPTRXFP1HDAC1HDAC2
SCHEMBL27697776 0.82 KEAP1 (0.57) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1561556 0.81 CYP4F2 (0.49) LMNANOS1TDP1
SCHEMBL7557354 0.81 PLA2G2A (0.53) LMNAHPGDNPC1RAB9A
SCHEMBL21728869 0.81 AKR1B1 (0.58) LMNAMAPTGAAHPGDTDP1
SCHEMBL31481085 0.80 NOS1 (0.49) LMNAACHENOS1
SCHEMBL2762061 0.79 MAPT (0.55) MAPTRXFP1HDAC1HDAC2HDAC6

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
US-9636298-B2 Prodrugs of compounds that enhance antifungal activity and compositions of said prodrugs METHYLGENE INC (CA) 2017-05-02 US disclosed