SCHEMBL9830989

SCHEMBL9830989

O=C1CCN(c2cc(Br)c(Br)cc2Br)C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.33
KMT2A Q03164 2/20 0.31
HSP90AA1 P07900 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30
TSHR P16473 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
SCHEMBL9830953 0.80 HTR1A (0.41) KMT2AHSP90AA1ALDH1A1MAPT
SCHEMBL9833440 0.80 MAPT (0.39) KMT2AHSP90AA1ALDH1A1MAPTMEN1
SCHEMBL10407588 0.76 MGLL (0.44) KMT2AALDH1A1MAPTMEN1
SCHEMBL9831758 0.74 KDM4E (0.42) KMT2AHSP90AA1ALDH1A1MAPTMEN1
SCHEMBL9829836 0.74 MAOB (0.36) IP6K1KMT2AALDH1A1MAPTMEN1
SCHEMBL9830695 0.73 MAOB (0.32) KMT2AMEN1TSHR
SCHEMBL9834536 0.73 MGLL (0.34) MAPT
SCHEMBL9831474 0.71 ALOX5 (0.33) KMT2AMAPTMEN1
SCHEMBL9832756 0.70 ALDH1A1 (0.47) IP6K1KMT2AALDH1A1MAPTMEN1
SCHEMBL9832133 0.69

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