SCHEMBL9106781

SCHEMBL9106781

CNc1c2c(nc3ccccc13)C1CCC2CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
KDM1A O60341 3/20 0.44
PRKAA2 P54646 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.40
NUDT1 P36639 2/20 0.38
OGG1 O15527 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.37
GPR3 P46089 1/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL9105665 0.91 ACHE (0.62) BCHEACHEKDM1APRKAA2ATM
SCHEMBL9108871 0.83 KDM1A (0.57) BCHEACHEKDM1ATDP1L3MBTL1
SCHEMBL9352676 0.81 KDM4E (0.50) BCHEACHEKDM1APRKAA2TDP1
SCHEMBL9109989 0.81 KDM4E (0.39) BCHEACHEKDM1AL3MBTL1ALDH1A1
SCHEMBL9105256 0.80 ACHE (0.54) ACHEKDM1AALDH1A1CYP1A2
SCHEMBL9103472 0.80 KMT2A (0.60) BCHEACHEALDH1A1POLB
SCHEMBL8781805 0.79 ACHE (0.45) ACHEKDM1AALDH1A1CYP1A2
SCHEMBL6464500 0.79 BCHE (0.42) BCHEACHEKDM1AL3MBTL1NUDT1
SCHEMBL9107151 0.76 ACHE (0.82) BCHEACHETDP1ALDH1A1CYP1A2
SCHEMBL9107670 0.75 ACHE (0.61) BCHEACHEKDM1AATMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4897400-A ENHANCING MEMORY HOESCHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1990-01-30 US claimed
US-5401749-A Memory enhancers, cholinergic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-03-28 US disclosed
US-4897400-A ENHANCING MEMORY HOESCHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1990-01-30 US disclosed