SCHEMBL27508375

SCHEMBL27508375

CC(CC(=O)O)n1ccnc1C(O)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
CTSA P10619 3/20 0.41
KMT2A Q03164 2/20 0.40
KMO O15229 1/20 0.40
FFAR1 O14842 3/20 0.39
ADRA1D P25100 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL27508376 0.77 KMT2A (0.45) KDM4EKMT2AKMOMEN1CYP1A2
SCHEMBL4907876 0.77 SMN1; SMN2 (0.52) KDM4ECTSAKMT2AKMOADRB2
SCHEMBL4906781 0.75 SMN1; SMN2 (0.44) KDM4EKMT2AKMOALDH1A1ADRB2
SCHEMBL4908330 0.75 KDM4E (0.68) KDM4EKMT2AFFAR1ALDH1A1MAPK1
SCHEMBL27548145 0.74 SMN1; SMN2 (0.40) KDM4EKMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL27685335 0.71 KMT2A (0.46) KDM4EKMT2AALDH1A1MEN1ADRB2
SCHEMBL18516674 0.70 SMN1; SMN2 (0.46) KDM4EFFAR1
SCHEMBL20535150 0.70 ALDH1A1 (0.58) CTSAKMT2AFFAR1ALDH1A1HPGD
SCHEMBL3188188 0.68 MEN1 (0.53) CTSAKMT2AADRA1DMEN1ADRB2
SCHEMBL3188356 0.68 MEN1 (0.53) CTSAKMT2AADRA1DMEN1ADRB2

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-1151789-C Utilization of aryl (or heteroaryl) azolylcarbinol derivatives in prepn. of medicament for treating troubles mediated by excess of substance P ��˹���IJ�ʿʵ���ҹɷ����޹�˾ 2004-06-02 CN claimed