SCHEMBL10774580

SCHEMBL10774580

N#Cc1c[c]c2ccccc2c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
IMPDH2 P12268 3/20 0.36
IMPDH1 P20839 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
AR P10275 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.31
ANPEP P15144 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7306217 0.76 AR (0.36) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7308483 0.76 MAP2K1 (0.34) ALDH1A1KDM4ECA1CA2TSHR
SCHEMBL5748883 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL250481 0.72 IMPDH2 (0.40) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4940405 0.68 IMPDH2 (0.40) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3530070 0.67 KDM4E (0.42) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL644339 0.67 CA1 (0.40) ALDH1A1KDM4EMAPTGAAIMPDH2
SCHEMBL578709 0.67 CYP2A6 (0.32) ALDH1A1TSHRTDP1
SCHEMBL29429129 0.66 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL150623 0.66 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTMEN1KMT2A

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
US-4650838-A OXIDATIVE, MECHANICAL AND THERMAL STABILITY ALLIED CORPORATION (US) 1987-03-17 US disclosed
US-4650839-A SELF-CROSSLINKING, OXIDATION AND HEAT RESISTANCE ALLIED CORPORATION (US) 1987-03-17 US disclosed