SCHEMBL8799360

SCHEMBL8799360

O=C1Nc2cc(I)ccc2OC1(C(F)F)C(F)F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TGM2 P21980 1/20 0.33
CES1 P23141 1/20 0.33
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
POLB P06746 2/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL13376291 0.79 TGM2 (0.36) KDM4EALDH1A1SMN1; SMN2TGM2CES1
SCHEMBL633096 0.64 MMP12 (0.65) ALDH1A1SMN1; SMN2PDE3BPDE3AHPGD
SCHEMBL18307135 0.62 BRD4 (0.50) KDM4EALDH1A1SMN1; SMN2TGM2CES1
SCHEMBL8265565 0.59 MMP12 (0.50) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL14292808 0.59 LMNA (0.43) KDM4EALDH1A1SMN1; SMN2TGM2CES1
SCHEMBL656665 0.59 JAK1 (0.40) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL2144278 0.59 PDK2 (0.55) TGM2CES1PDE3BPDE3A
SCHEMBL15651034 0.57 ALDH1A1 (0.39) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL9920477 0.57 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL18413652 0.57 TGM2 (0.49) TGM2CES1PDE3BPDE3APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5700798-A Methods for using benzoxazines for treating asthma ZENECA LIMITED (GB) 1997-12-23 US disclosed
EP-0698022-B1 1,4-BENZOXAZINE DERIVATIVES AS POTASSIUM CHANNEL OPENERS ZENECA LTD (GB) 1997-09-17 EP disclosed
EP-0731796-A1 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 EP disclosed
EP-0698022-A1 1,4-BENZOXAZINE DERIVATIVES AS POTASSIUM CHANNEL OPENERS ZENECA LTD (GB) 1996-02-28 EP disclosed
US-5486515-A 2-fluoroalkyl-1,4-benzoxaxines as potassium channel mediators ZENECA LIMITED (GB) 1996-01-23 US disclosed
WO-1995015318-A1 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-06-08 WO disclosed
WO-1994026739-A1 1,4-BENZOXAZINE DERIVATIVES AS POTASSIUM CHANNEL OPENERS ZENECA LIMITED (GB) 1994-11-24 WO disclosed