SCHEMBL27598409

SCHEMBL27598409

CCc1nc(NC(=O)c2cc3cc(C)ccc3n2COC(C)=O)sc1C1CCC(c2cc(OC)c(Cl)cc2OC)CC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
STAT3 P40763 1/20 0.33
F10 P00742 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
LMNA P02545 5/20 0.31
TP53 P04637 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL27598402 0.90 MEN1 (0.39) MAPTALDH1A1HPGDSTAT3F10
SCHEMBL27580962 0.90 ALDH1A1 (0.33) ALDH1A1HPGDKDM4ESMN1; SMN2STAT3
SCHEMBL27581118 0.88 RXFP1 (0.35) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL27580984 0.82 TRPV4 (0.35) ALDH1A1HPGDKDM4ESMN1; SMN2F10
SCHEMBL28751610 0.82 TRPV4 (0.33) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL28751612 0.81 ALDH1A1 (0.34) MAPTALDH1A1HPGDSTAT3NPC1
SCHEMBL28941667 0.81 RXFP1 (0.35) MAPTALDH1A1HPGDSTAT3TRPV4
SCHEMBL27598407 0.80 TRPV4 (0.32) TRPV4
SCHEMBL27598580 0.75 ALDH1A1 (0.31) ALDH1A1HPGDKDM4ESMN1; SMN2STAT3
SCHEMBL27598408 0.73 MAPT (0.35) MAPTHPGDKDM4ESMN1; SMN2NPC1

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-1478075-A Chemical process and new intermediates ��ŵ�Ѻϳ�ʵ���� 2004-02-25 CN disclosed