SCHEMBL11276282

SCHEMBL11276282

Cc1c(Br)ccc([N+](=O)[O-])c1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP2D6 P10635 1/20 0.41
CYP1A2 P05177 1/20 0.40
TSHR P16473 5/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 3/20 0.35
GPR35 Q9HC97 1/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
CES1 P23141 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL31468771 0.86 TDP1 (0.46) MEN1KMT2ATDP1ALDH1A1CYP2D6
SCHEMBL11265192 0.83 TDP1 (0.41) MEN1KMT2ATDP1ALDH1A1CYP2D6
SCHEMBL10756385 0.82 TSHR (0.48) MEN1KMT2ATDP1ALDH1A1CYP1A2
SCHEMBL11743682 0.81 KMT2A (0.42) MEN1KMT2ATDP1ALDH1A1CYP2D6
SCHEMBL29727839 0.77 TDP1 (0.56) MEN1KMT2ATDP1ALDH1A1CYP2D6
SCHEMBL27683829 0.77 TDP1 (0.56) MEN1KMT2ATDP1ALDH1A1CYP2D6
SCHEMBL11081942 0.77 HCAR3 (0.45) TDP1ALDH1A1TSHRCYP3A4SMN1; SMN2
SCHEMBL31145977 0.77 ALDH1A1 (0.46) MEN1KMT2ATDP1ALDH1A1SMN1; SMN2
SCHEMBL28187025 0.77 GPR35 (0.50) MEN1KMT2ATDP1ALDH1A1CYP2D6
SCHEMBL9575258 0.76 CYP1A2 (0.50) MEN1KMT2ATDP1ALDH1A1CYP2D6

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
EP-0054180-A2 Process for the preparation of imidazoquinazoline derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-06-23 EP claimed
EP-0054180-A2 Process for the preparation of imidazoquinazoline derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-06-23 EP disclosed