SCHEMBL7981969

SCHEMBL7981969

O=C1CCNc2cc3ccccc3cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
ALDH1A1 P00352 2/20 1.00
HPGD P15428 2/20 1.00
LMNA P02545 1/20 1.00
TP53 P04637 1/20 1.00
POLB P06746 1/20 1.00
GAA P10253 1/20 1.00
ALOX15 P16050 1/20 1.00
ALOX12 P18054 1/20 1.00
CASP1 P29466 1/20 1.00
MPI P34949 1/20 1.00
HTT P42858 1/20 1.00
CASP7 P55210 1/20 1.00
HSD17B10 Q99714 1/20 1.00
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.58
NPC1 O15118 1/20 0.58
USP2 O75604 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL19962697 0.77 KMT2A (0.61) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL68581 0.76 MEN1 (0.61) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL1756450 0.75 CASP1 (0.59) MEN1KMT2AALDH1A1HPGDLMNA
Hydrochloric Acid SCHEMBL29473284 0.75 MEN1 (0.59) MEN1KMT2AALDH1A1HPGDLMNA
Hydrochloric Acid SCHEMBL7142299 0.75 MEN1 (0.59) MEN1KMT2AALDH1A1HPGDLMNA
Hydrochloric Acid SCHEMBL5512697 0.75 MEN1 (0.59) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL6294041 0.74 ALDH1A1 (0.58) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL9803751 0.73 MEN1 (0.58) MEN1KMT2AALDH1A1HPGDLMNA
Hydrochloric Acid SCHEMBL30205268 0.73 MEN1 (0.58) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL9538393 0.73 MEN1 (0.58) MEN1KMT2AALDH1A1HPGDLMNA

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-6274596-B1 MICROBIOCIDES FOR DRUG RESISTANCE INFECTIONS ANADYS PHARMACEUTICALS, INC. 2001-08-14 US disclosed
WO-2000024389-A2 BENZOQUINOLINE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS ANADYS PHARMACEUTICALS, INC. (US) 2000-05-04 WO disclosed