SCHEMBL11865896

SCHEMBL11865896

CCN(CC)CCNC(=O)c1nn(C(C)C)c2c1CCc1ccccc1-2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.51
▸ TP53 P04637 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ RAB9A P51151 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ SHMT2 P34897 1/20 0.45
▸ NAMPT P43490 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL11859057 0.85 RAD52 (0.64) RAD52TP53MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL11865925 0.84 RAD52 (0.63) RAD52TP53MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL11867166 0.81 RAD52 (0.74) RAD52TP53MAPTRAB9ASMN1; SMN2
SCHEMBL11857626 0.79 RAD52 (0.57) RAD52TP53MAPTRAB9ASMN1; SMN2
SCHEMBL11862119 0.78 AURKA (0.48) TP53MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL11868637 0.77 CCNA2 (0.47) TP53MAPTRAB9ASMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL11864379 0.76 RAD52 (0.56) RAD52TP53MAPTRAB9ASMN1; SMN2
Fumaric Acid SCHEMBL11862246 0.76 RAD52 (0.53) RAD52TP53MAPTRAB9ASMN1; SMN2
Maleic Acid SCHEMBL11862236 0.76 RAD52 (0.53) RAD52TP53MAPTRAB9ASMN1; SMN2
SCHEMBL11859430 0.74 RAD52 (0.75) RAD52TP53MAPTSMN1; SMN2HPGD

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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