SCHEMBL11565366

SCHEMBL11565366

CC(Cl)COc1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
ATM Q13315 1/20 0.53
HTR7 P34969 1/20 0.49
POLB P06746 1/20 0.42
RAB9A P51151 4/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRM4 Q14833 2/20 0.39
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 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
SCHEMBL29671577 0.84 KMT2A (0.59) KMT2AMEN1SMN1; SMN2GAAATM
SCHEMBL6468101 0.84 KMT2A (0.59) KMT2AMEN1SMN1; SMN2GAAATM
SCHEMBL5362727 0.81 KMT2A (0.53) KMT2AMEN1SMN1; SMN2GAAATM
SCHEMBL263217 0.81 KMT2A (0.53) KMT2AMEN1SMN1; SMN2GAAATM
SCHEMBL1496589 0.81 KMT2A (0.60) KMT2AMEN1SMN1; SMN2GAAATM
SCHEMBL5362724 0.81 KMT2A (0.53) KMT2AMEN1SMN1; SMN2GAAATM
SCHEMBL16180345 0.81 KMT2A (0.53) KMT2AMEN1SMN1; SMN2GAAATM
SCHEMBL27514088 0.79 KMT2A (0.51) KMT2AMEN1SMN1; SMN2GAAATM
SCHEMBL9120301 0.78 KDM4E (0.58) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL20379129 0.78 CYP1A2 (0.37) SMN1; SMN2LMNACYP1A2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4134975-A PYRIDO(1,2,-D)(1,4,6)BENZOXADIAZOCINES OR PYRIDO(1,2,-C)(1,3,5)BENZOXADIAZEPINES E. R. SQUIBB & SONS, INC. (US) 1979-01-16 US disclosed
US-3965101-A CNS STIMULANTS E. R. SQUIBB & SONS, INC. (US) 1976-06-22 US disclosed
US-3957806-A STIMULANTS, MUSCLE RELAXANTS E. R. SQUIBB & SONS, INC. (US) 1976-05-18 US disclosed