SCHEMBL8628121

SCHEMBL8628121

CCC1Oc2ccc(F)c(Oc3ccc(CCNC(=N)N)cc3)c2N(Cc2cccc([N+](=O)[O-])c2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TSHR P16473 4/20 0.38
MAPK1 P28482 3/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PKM P14618 1/20 0.37
THRB P10828 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
USP2 O75604 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
MAPT P10636 2/20 0.33

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
SCHEMBL8557110 0.78 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1LMNASMN1; SMN2
SCHEMBL8604248 0.76 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1LMNASMN1; SMN2
SCHEMBL8555600 0.76 SIRT2 (0.43) ALDH1A1TSHRMAPK1LMNASMN1; SMN2
SCHEMBL8603252 0.75 ALDH1A1 (0.41) ALDH1A1MAPK1LMNASMN1; SMN2NPC1
SCHEMBL7471326 0.74 MEN1 (0.39) ALDH1A1TSHRMAPK1LMNAMEN1
SCHEMBL8551402 0.72 MEN1 (0.39) ALDH1A1TSHRMAPK1LMNAMEN1
Hydrochloric Acid SCHEMBL8602861 0.72 MEN1 (0.39) ALDH1A1MAPK1LMNASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL8632521 0.71 LMNA (0.38) ALDH1A1TSHRMAPK1LMNASMN1; SMN2
SCHEMBL8554026 0.69 KCNH2 (0.41) ALDH1A1MAPK1LMNARAB9AMEN1
SCHEMBL8628591 0.68 LOXL2 (0.41) ALDH1A1TSHRMAPK1LMNATHRB

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
US-5854242-A Benzoxazine antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-12-29 US disclosed
US-5696117-A BACTERICIDE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-09 US disclosed