SCHEMBL9026962

SCHEMBL9026962

COc1ccc(Cl)cc1C(N)c1cc2cc(C(C)C)c(C)cc2o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.37
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
SLC9A1 P19634 3/20 0.35
ALOX5 P09917 1/20 0.34
TSHR P16473 2/20 0.33
NPC1 O15118 1/20 0.33
STAT3 P40763 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
MAPT P10636 1/20 0.32
S1PR3 Q99500 1/20 0.32
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 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
SCHEMBL9025274 0.82 SLC6A2 (0.36) ALDH1A1HPGDALOX5TSHRSLC6A2
SCHEMBL9025551 0.79 KDM4E (0.43) LPAR1ALDH1A1HPGDTSHRNPC1
SCHEMBL9026972 0.77 LPAR1 (0.35) LPAR1ALDH1A1HPGDSLC9A1TSHR
SCHEMBL9026692 0.76 ADORA3 (0.44) LPAR1ALDH1A1HPGDSLC6A2SLC6A4
SCHEMBL9025673 0.76 KMT2A (0.39) ALDH1A1HPGDSLC9A1ALOX5NPC1
SCHEMBL9025095 0.73 MAPT (0.38) ALDH1A1HPGDTSHRNPC1RAB9A
SCHEMBL9026477 0.73 SLC9A1 (0.36) ALDH1A1HPGDSLC9A1ALOX5GAA
SCHEMBL9025806 0.72 MAPT (0.39) LPAR1ALDH1A1HPGDTSHRNPC1
SCHEMBL9027093 0.72 LMNA (0.36) LPAR1ALDH1A1HPGDNPC1RAB9A
SCHEMBL84489 0.72 LPAR1 (0.50) LPAR1ALDH1A1HPGDTSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711290-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1996-05-15 EP disclosed
WO-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO disclosed