SCHEMBL9828696

SCHEMBL9828696

CCOC(=O)CCNc1ccc(Br)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
EGFR P00533 1/20 0.40
PTPN7 P35236 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
ABL1 P00519 1/20 0.38

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
SCHEMBL9831986 0.85 TOP2A (0.45) TOP2ASMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL9831233 0.83 MAPT (0.54) TOP2ASMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL9830208 0.82 ALDH1A1 (0.51) TOP2ASMN1; SMN2ALDH1A1POLBRAB9A
SCHEMBL4826633 0.81 TOP2A (0.45) TOP2ASMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL2542902 0.81 EGFR (0.56) TOP2ASMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL9831448 0.81 HPGD (0.51) TOP2ASMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL9832154 0.80 CYP1A2 (0.46) TOP2ASMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL9829525 0.80 MAPT (0.53) TOP2ASMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL3037330 0.79 ALDH1A1 (0.50) TOP2ASMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL14929541 0.79 SMN1; SMN2 (0.57) TOP2ASMN1; SMN2ALDH1A1KMT2APOLB

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 5 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 claimed
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 claimed
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