SCHEMBL9837700

SCHEMBL9837700

CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c4c(=O)[nH]sc4n1c23

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.57
ALDH1A1 P00352 5/20 0.57
HPGD P15428 4/20 0.57
HSD17B10 Q99714 2/20 0.57
ALB P02768 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57
TUBB4A P04350 6/20 0.56
TUBB P07437 6/20 0.56
TUBA3C P0DPH7 6/20 0.56
TUBA1B P68363 6/20 0.56
TUBA4A P68366 6/20 0.56
TUBB4B P68371 6/20 0.56
TUBB3 Q13509 6/20 0.56
TUBB2A Q13885 6/20 0.56
TUBB8 Q3ZCM7 6/20 0.56
TUBA3E Q6PEY2 6/20 0.56
TUBA1A Q71U36 6/20 0.56
TUBA1C Q9BQE3 6/20 0.56
TUBB6 Q9BUF5 6/20 0.56
TUBB2B Q9BVA1 6/20 0.56

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
SCHEMBL4186238 1.00 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9837887 0.92 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL4187944 0.91 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9838874 0.91 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL4190220 0.87 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL13946231 0.87 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9838896 0.86 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL4186230 0.86 PIM1 (0.46) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL14042223 0.86 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9839253 0.86 PIM1 (0.46) KDM4EALDH1A1HPGDHSD17B10ALB

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
EP-0228661-B1 ISOXAZOLO-PYRIDO-BENZOXAZINE AND ISOTHIAZOLO-PYRIDO-BENZOXAZINE DERIVATIVES ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
US-4687770-A Isoxazolo-pyrido-benzoxazine and isothiazolo-pyrido-benzoxazine derivatives ABBOTT LABORATORIES (US) 1987-08-18 US disclosed
EP-0228661-A1 Isoxazolo-pyrido-benzoxazine and isothiazolo-pyrido-benzoxazine derivatives ABBOTT LABORATORIES (US) 1987-07-15 EP disclosed