SCHEMBL7438110

SCHEMBL7438110

Cc1cc(C)c(NC(=O)CN2CCC(=O)CC2)c(C)c1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.74
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
ALOX15 P16050 1/20 0.72
TSHR P16473 3/20 0.57
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
TP53 P04637 2/20 0.55
KCNQ2 O43526 1/20 0.53
LMNA P02545 3/20 0.50
HTT P42858 1/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL7435500 0.85 ALDH1A1 (0.57) POLBMEN1KMT2AALOX15TSHR
SCHEMBL7288776 0.82 POLB (0.74) POLBMEN1KMT2AALOX15TSHR
SCHEMBL7437444 0.79 KMT2A (0.64) POLBMEN1KMT2ATSHRNPC1
SCHEMBL7431631 0.76 ALDH1A1 (0.44) POLBMEN1KMT2AALOX15RAB9A
SCHEMBL7442119 0.75 RAB9A (0.48) POLBMEN1KMT2AALOX15RAB9A
SCHEMBL7423903 0.75 ALOX15 (0.60) POLBMEN1KMT2AALOX15TSHR
SCHEMBL25620144 0.75 MEN1 (0.81) POLBMEN1KMT2AALOX15RAB9A
SCHEMBL7431085 0.74 ALDH1A1 (0.55) POLBMEN1KMT2ATSHRRAB9A
SCHEMBL7434236 0.73 KDM4E (0.63) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL18998184 0.73 RAB9A (0.53) MEN1KMT2ATSHRRAB9ANPC1

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed