SCHEMBL30169375

SCHEMBL30169375

CN1CCC(NC(=O)c2ccc(Br)nc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.53
AURKB Q96GD4 1/20 0.53
GPR183 P32249 1/20 0.50
EGLN1 Q9GZT9 3/20 0.49
PRKAB2 O43741 1/20 0.49
PRKAG1 P54619 1/20 0.49
PRKAA2 P54646 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKAG3 Q9UGI9 1/20 0.49
PRKAG2 Q9UGJ0 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49
GABRA5 P31644 1/20 0.48
HPGDS O60760 3/20 0.48
SLC6A5 Q9Y345 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ATR Q13535 1/20 0.47
BMPR1B O00238 2/20 0.46
BMPR1A P36894 2/20 0.46
ACVRL1 P37023 2/20 0.46

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
SCHEMBL960202 0.87 RAB9A (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL26944377 0.85 HDAC6 (0.53) AURKAAURKBEGLN1PRKAB2PRKAG1
SCHEMBL2159144 0.84 GRM5 (0.53)
SCHEMBL3544572 0.84 SSTR5 (0.56) AURKAAURKBEGLN1PRKAB2PRKAG1
SCHEMBL2159094 0.83 GRM5 (0.57)
SCHEMBL20551505 0.81 NPSR1 (0.54) AURKAAURKBSLC6A5HDAC4HDAC6
SCHEMBL2069780 0.80 HPGDS (0.69) EGLN1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL12776620 0.78 HPGDS (0.53) EGLN1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2073316 0.78 HPGDS (0.58) EGLN1HPGDSSLC6A5HDAC4HDAC6
SCHEMBL4636340 0.77 GABRA5 (0.55) AURKBPRKAB2PRKAG1PRKAA2PRKAA1

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-115551593-A Compounds and methods for modulating splicing 雷密克斯医疗公司 2022-12-30 CN disclosed