SCHEMBL7656362

SCHEMBL7656362

CCOC(=O)C1c2occc2CCN1S(=O)(=O)c1ccc(Oc2ccc(-n3ccnc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
MITF O75030 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP1 P03956 6/20 0.37
USP2 O75604 2/20 0.37
TSHR P16473 2/20 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
SCHEMBL7649774 0.89 GPR119 (0.39) ALDH1A1KDM4EMAPTMMP1USP2
SCHEMBL7654948 0.88 MMP1 (0.38) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL7658355 0.86 ESR1 (0.39) CYP2D6ALDH1A1KDM4ESMN1; SMN2MMP1
SCHEMBL7661855 0.86 ESR1 (0.39) CYP2D6ALDH1A1KDM4ESMN1; SMN2MMP1
SCHEMBL7651679 0.81 KDM4E (0.44) CYP2D6ALDH1A1KDM4EMMP1USP2
Hydrochloric Acid SCHEMBL7654884 0.80 ADH5 (0.42) KMT2AMEN1TSHRALOX15CYP19A1
SCHEMBL7659207 0.78 CHRNA7 (0.36) ALDH1A1SMN1; SMN2MMP1LMNAMMP14
SCHEMBL7654117 0.78 LMNA (0.35) ALDH1A1SMN1; SMN2MMP1TSHRLMNA
SCHEMBL7659859 0.78 LMNA (0.39) ALDH1A1KMT2ASMN1; SMN2MMP1TSHR
SCHEMBL7658123 0.77 LMNA (0.42) ALDH1A1KMT2ASMN1; SMN2MMP1TSHR

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
US-6339092-B1 FOR THERAPY RHEUMATOID ARTHRITIS, ARTHROSIS, TUMOUR INVASION AND GROWTH, INCLUDING MALIGNANT SPREAD AND THE FORMATION OF METASTASES, ULCERATIONS, ATHEROSCLEROSIS ADIR ET COMPAGNIE (FR) 2002-01-15 US disclosed