SCHEMBL9157751

SCHEMBL9157751

Cc1ccc(N2CCN(C(=O)NN)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
AKR1C3 P42330 1/20 0.58
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 2/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
KDM4E B2RXH2 2/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
GFER P55789 2/20 0.50
CASP6 P55212 1/20 0.50
HTT P42858 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GLA P06280 1/20 0.48

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
SCHEMBL9158027 0.83 CA12 (0.62) MAPTAKR1C3LMNASMN1; SMN2ALDH1A1
SCHEMBL10486401 0.83 L3MBTL1 (0.70) MAPTAKR1C3LMNASMN1; SMN2TP53
SCHEMBL26758591 0.82 MAPT (0.84) MAPTLMNASMN1; SMN2TP53POLB
SCHEMBL6134787 0.80 ALDH1A1 (0.56) MAPTLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL630856 0.79 AKR1C3 (0.65) MAPTAKR1C3LMNASMN1; SMN2POLB
SCHEMBL82046 0.79 GFER (0.71) MAPTAKR1C3LMNASMN1; SMN2ALDH1A1
SCHEMBL10401922 0.78 MAPT (0.51) MAPTAKR1C3LMNASMN1; SMN2TP53
SCHEMBL14220699 0.78 L3MBTL1 (0.73) MAPTAKR1C3LMNASMN1; SMN2ALDH1A1
SCHEMBL13257760 0.77 AKR1C3 (0.63) MAPTAKR1C3LMNASMN1; SMN2POLB
SCHEMBL9410734 0.77 AKR1C3 (0.63) MAPTAKR1C3LMNASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0343708-B1 Avermectin derivatives MERCK & CO INC (US) 1995-02-15 EP claimed
EP-0343708-A2 Avermectin derivatives MERCK & CO. INC. (US) 1989-11-29 EP claimed
US-4873224-A Avermectin derivatives MERCK & CO., INC. (US) 1989-10-10 US claimed
EP-0343708-B1 Avermectin derivatives MERCK & CO INC (US) 1995-02-15 EP disclosed
EP-0343708-A2 Avermectin derivatives MERCK & CO. INC. (US) 1989-11-29 EP disclosed
US-4873224-A Avermectin derivatives MERCK & CO., INC. (US) 1989-10-10 US disclosed