SCHEMBL10595299

SCHEMBL10595299

O=c1oc(-c2cccc(OC(F)(F)F)c2)nc2cccc(F)c12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
F2 P00734 1/20 0.49
HPGD P15428 1/20 0.49
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PBRM1 Q86U86 1/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 1/20 0.46
GRM5 P41594 1/20 0.46
P2RY14 Q15391 3/20 0.46
MEN1 O00255 1/20 0.45
ELANE P08246 2/20 0.44
HSD17B10 Q99714 1/20 0.43
XDH P47989 1/20 0.43
ATR Q13535 1/20 0.41
F7 P08709 1/20 0.40
F3 P13726 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
SCHEMBL10594235 0.91 ALDH1A1 (0.47) ALDH1A1KMT2AF2HPGDTP53
SCHEMBL10344654 0.90 ALDH1A1 (0.46) ALDH1A1KMT2AF2HPGDTP53
SCHEMBL10967915 0.88 NOTUM (0.47) ALDH1A1TP53SMN1; SMN2PBRM1MAPT
SCHEMBL10344537 0.87 PBRM1 (0.63) ALDH1A1KMT2AF2HPGDTP53
SCHEMBL10508900 0.86 ALDH1A1 (0.49) ALDH1A1KMT2AF2HPGDTP53
SCHEMBL17554048 0.85 ALDH1A1 (0.67) ALDH1A1KMT2AF2HPGDTP53
SCHEMBL10962479 0.84 KMT2A (0.46) ALDH1A1KMT2AF2HPGDTP53
SCHEMBL10834685 0.83 ALDH1A1 (0.71) ALDH1A1KMT2AF2HPGDTP53
SCHEMBL7186075 0.81 F7 (0.54) ALDH1A1KMT2AF2HPGDPBRM1
SCHEMBL10344798 0.81 HPN (0.57) ALDH1A1KMT2AF2HPGDSMN1; 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-0136646-B1 PROCESS FOR THE PREPARATION OF 5-FLUOR-4H-3,1-BENZOXAZIN-4-ONES BASF Aktiengesellschaft (DE) 1989-01-25 EP disclosed
US-4562254-A Preparation of 5-fluoro-2-phenyl-4H-3,1-benzoxazin-4-ones BASF AKTIENGESELLSCHAFT (DE) 1985-12-31 US disclosed