SCHEMBL27363674

SCHEMBL27363674

CCOC(=O)c1cc2c(C(F)(F)F)cccc2n1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.48
KDM4E B2RXH2 6/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CCR2 P41597 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
LDHA P00338 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL4073594 0.83 TSHR (0.45) ALOX5KDM4EHSD17B10TSHRALDH1A1
SCHEMBL6797977 0.82 ALOX5 (0.44) ALOX5KDM4EALDH1A1SMN1; SMN2LDHA
SCHEMBL5005300 0.81 CA12 (0.53) ALOX5KDM4EHSD17B10TSHRALDH1A1
SCHEMBL7873244 0.81 KMT2A (0.46) ALOX5KDM4ETSHRALDH1A1CCR2
SCHEMBL29812990 0.81 CCR2 (0.54) KDM4EHSD17B10ALDH1A1CCR2SMN1; SMN2
SCHEMBL7884274 0.81 CCR2 (0.43) ALOX5KDM4EALDH1A1CCR2SMN1; SMN2
SCHEMBL22042092 0.80 KDM4E (0.50) ALOX5KDM4EHSD17B10TSHRALDH1A1
SCHEMBL7873379 0.80 ALDH1A1 (0.48) KDM4EHSD17B10TSHRALDH1A1RXFP1
SCHEMBL27378256 0.80 ALOX5 (0.49) ALOX5KDM4EHSD17B10TSHRALDH1A1
SCHEMBL6798023 0.80 ALDH1A1 (0.39) ALOX5KDM4EALDH1A1PKMMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1067988-C Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 2001-07-04 CN disclosed
CN-1136038-A Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 1996-11-20 CN disclosed
CN-1106800-A Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 1995-08-16 CN disclosed