SCHEMBL27729454

SCHEMBL27729454

COC(=O)c1c(CCBr)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TACR3 P29371 8/20 0.50
PDE10A Q9Y233 2/20 0.50
TSHR P16473 1/20 0.50
TP53 P04637 1/20 0.49
DHODH Q02127 3/20 0.48
TACR2 P21452 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 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
SCHEMBL2372595 0.90 SMN1; SMN2 (0.54) LMNASMN1; SMN2MEN1KMT2ATACR3
SCHEMBL27669534 0.85 DHODH (0.61) LMNATACR3PDE10ATSHRTP53
SCHEMBL14115125 0.84 SMN1; SMN2 (0.54) LMNASMN1; SMN2MEN1KMT2ATACR3
SCHEMBL3633684 0.84 SMN1; SMN2 (0.49) LMNASMN1; SMN2MEN1KMT2ATACR3
SCHEMBL4666988 0.81 SMN1; SMN2 (0.51) LMNASMN1; SMN2MEN1KMT2ATACR3
SCHEMBL8268500 0.80 TACR3 (0.52) SMN1; SMN2MEN1KMT2ATACR3PDE10A
SCHEMBL4230222 0.80 DHODH (0.70) LMNASMN1; SMN2MEN1KMT2ATACR3
SCHEMBL2372674 0.80 PDE10A (0.73) LMNASMN1; SMN2MEN1KMT2ATACR3
SCHEMBL4668037 0.79 TACR3 (0.53) SMN1; SMN2MEN1KMT2ATACR3DHODH
SCHEMBL2373281 0.79 KDM4E (0.55) LMNASMN1; SMN2MEN1KMT2ATACR3

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
CN-101370782-A Alkylsulphonamide quinolines ASTRAZENECA AB (SE) 2009-02-18 CN disclosed