SCHEMBL2796264

SCHEMBL2796264

Nc1ccc(C2=NC(Cc3ccccc3Cl)CNc3ccc(Cl)cc32)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
CHRM1 P11229 5/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
ALB P02768 1/20 0.37
KMT2A Q03164 1/20 0.37
PGR P06401 1/20 0.36
CCKBR P32239 4/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35

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
SCHEMBL2797615 0.84 CHRM1 (0.40) TAAR1CHRM1LMNAMEN1ALB
SCHEMBL2267642 0.84 LMNA (0.44) CHRM1LMNAMEN1ALBKMT2A
SCHEMBL2117818 0.83 CCKBR (0.55) CHRM1LMNAMEN1ALBKMT2A
SCHEMBL2270644 0.80 DYRK1A (0.42) CHRM1LMNAMEN1ALBKMT2A
SCHEMBL2264526 0.75 CHRM1 (0.44) CHRM1LMNAMEN1ALBKMT2A
SCHEMBL2268675 0.74 MEN1 (0.43) CHRM1LMNAMEN1ALBKMT2A
SCHEMBL2117702 0.73 OPRK1 (0.36) LMNACCKBRINPPL1
SCHEMBL2119671 0.72 CCKBR (0.57) CHRM1LMNAMEN1ALBKMT2A
SCHEMBL3233295 0.72 CCKBR (0.43) CHRM1LMNAMEN1ALBKMT2A
SCHEMBL2117932 0.71 CCKBR (0.55) CHRM1LMNAMEN1ALBKMT2A

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
WO-2010121164-A2 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-10-21 WO disclosed