SCHEMBL11865693

SCHEMBL11865693

O=C(OCCN1CCOCC1)c1nn(-c2ccccc2)c2c1CCc1cc(Cl)ccc1-2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.47
▸ SIGMAR1 Q99720 1/20 0.44
▸ ABCB1 P08183 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PIK3CD O00329 5/20 0.42
▸ PIK3R2 O00459 5/20 0.42
▸ PIK3CA P42336 5/20 0.42
▸ PIK3CB P42338 5/20 0.42
▸ PIK3CG P48736 5/20 0.42
▸ PIK3R5 Q8WYR1 5/20 0.42
▸ PIK3R3 Q92569 5/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ RAD52 P43351 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 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
SCHEMBL11865791 0.92 CNR2 (0.47) CNR1CNR2RAD52
SCHEMBL11870415 0.91 CNR2 (0.49) CNR1CNR2RAD52
SCHEMBL11859783 0.91 RAD52 (0.44) KDM4ETP53CNR1CNR2RAD52
SCHEMBL11863304 0.85 ABCB1 (0.59) ABCB1KDM4ETSHRCNR1CNR2
SCHEMBL11859533 0.81 RAD52 (0.47) KDM4ETP53CNR1CNR2RAD52
SCHEMBL11864104 0.81 RAD52 (0.57) KDM4ETP53CNR1CNR2RAD52
Hydrochloric Acid SCHEMBL11861513 0.80 RAD52 (0.57) KDM4ETP53TSHRCNR1CNR2
SCHEMBL11863026 0.79 KMT2A (0.53) CNR1CNR2RAD52GAAALDH1A1
SCHEMBL5698605 0.78 CNR2 (0.51) KDM4ECNR1CNR2RAD52ALDH1A1
SCHEMBL11870710 0.77 CNR2 (0.54) ABCB1CNR1CNR2RAD52ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3940418-A Esters and amides of 4,5-dihydrobenz[g]indazole-3-carboxylic acids and related compounds G. D. SEARLE & CO. (US) 1976-02-24 — — US disclosed
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