SCHEMBL28798411

SCHEMBL28798411

NN(C(=O)Nc1ccccc1)C1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.68
▸ HPGD P15428 1/20 0.54
▸ MAPT P10636 1/20 0.52
▸ RAB9A P51151 4/20 0.51
▸ EPHX2 P34913 2/20 0.51
▸ EPHX1 P07099 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ TP53 P04637 2/20 0.49
▸ POLB P06746 3/20 0.49
▸ ABCC1 P33527 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL10595718 0.87 ATM (0.71) ATMHPGDMAPTRAB9AEPHX2
SCHEMBL7620949 0.82 ATM (0.69) ATMHPGDMAPTRAB9AEPHX2
SCHEMBL7614096 0.82 ATM (0.69) ATMHPGDMAPTRAB9AEPHX2
SCHEMBL27874520 0.82 EPHX1 (0.58) ATMHPGDMAPTRAB9AEPHX1
SCHEMBL10800831 0.81 KMT2A (0.55) ATMMAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL11599130 0.81 ATM (1.00) ATMHPGDMAPTRAB9AEPHX2
SCHEMBL7613507 0.80 ATM (0.67) ATMHPGDMAPTRAB9AEPHX2
SCHEMBL9547525 0.79 ATM (0.66) ATMHPGDMAPTRAB9AEPHX2
SCHEMBL28728490 0.77 ATM (0.62) ATMHPGDMAPTRAB9AEPHX2
Fenuron SCHEMBL10820802 0.75 ATM (0.64) ATMHPGDMAPTRAB9AEPHX2

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
CN-102471339-A Pyrrolopyridine inhibitors of kinases ABBOTT LAB 2012-05-23 — — CN claimed
CN-102471339-A Pyrrolopyridine inhibitors of kinases ABBOTT LAB 2012-05-23 — — CN disclosed
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