SCHEMBL11859404

SCHEMBL11859404

CN1CCN(CCNC(=O)c2nn(-c3ccccc3)c3c2CCc2cc(Cl)ccc2-3)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ CNR2 P34972 7/20 0.49
▸ CNR1 P21554 3/20 0.49
▸ ABCB1 P08183 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ KDM5B Q9UGL1 2/20 0.46
▸ NTRK1 P04629 1/20 0.45

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
SCHEMBL11870710 0.94 CNR2 (0.54) RAD52ALDH1A1LMNAMAPK1CNR2
SCHEMBL11858506 0.93 CNR2 (0.56) RAD52ALDH1A1LMNAMAPK1CNR2
SCHEMBL11863304 0.91 ABCB1 (0.59) RAD52ALDH1A1LMNAMAPK1CNR2
SCHEMBL11861062 0.88 CNR2 (0.54) RAD52ALDH1A1CNR2CNR1ABCB1
Hydrochloric Acid SCHEMBL11863213 0.86 RAD52 (0.51) RAD52ALDH1A1LMNAMAPK1CNR2
Hydrochloric Acid SCHEMBL11863224 0.86 RAD52 (0.51) RAD52ALDH1A1LMNAMAPK1CNR2
SCHEMBL11867074 0.85 RAD52 (0.62) RAD52CNR2CNR1
SCHEMBL11859783 0.85 RAD52 (0.44) RAD52ALDH1A1LMNAMAPK1CNR2
SCHEMBL11860266 0.84 RAD52 (0.58) RAD52CNR2CNR1
SCHEMBL11859430 0.84 RAD52 (0.75) RAD52ALDH1A1MAPK1CNR2CNR1

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
Send feedback