SCHEMBL9832152

SCHEMBL9832152

COc1ccc(OC)c(N2CCC(=O)C2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 3/20 0.56
HSD17B10 Q99714 2/20 0.48
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL7486606 0.91 MAPT (0.56) MAPTLMNAALDH1A1KDM4EHSD17B10
SCHEMBL9831285 0.88 KDM4E (0.49) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL8562906 0.85 LMNA (0.48) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL8382286 0.80 MAPT (0.67) MAPTLMNAALDH1A1KDM4EHSD17B10
SCHEMBL8564312 0.80 MAPT (0.56) MAPTLMNAALDH1A1KMT2ATP53
SCHEMBL7492848 0.78 TSHR (0.54) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL9830402 0.77 MAPT (0.63) MAPTLMNAALDH1A1KDM4EHSD17B10
SCHEMBL9828629 0.76 ADRB1 (0.51) MAPTALDH1A1TSHR
SCHEMBL9829333 0.76 POLB (0.53) MAPTLMNAALDH1A1HSD17B10KMT2A
SCHEMBL9833027 0.75 MAPT (0.50) MAPTLMNAALDH1A1KDM4EHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP disclosed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO disclosed
US-4925939-A 6,7-dihydropyrrol[3,4-c]pyrido[2,3-d]pyrimidine derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-05-15 US disclosed