SCHEMBL9033681

SCHEMBL9033681

COc1cc(OC(=O)Cl)nc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.60
▸ HPGD P15428 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPT P10636 4/20 0.50
▸ POLB P06746 2/20 0.50
▸ SLC2A1 P11166 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.47
▸ HTT P42858 2/20 0.47
▸ IGF1R P08069 2/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ HTR3E A5X5Y0 1/20 0.43
▸ HTR3B O95264 1/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ HTR3D Q70Z44 1/20 0.43
▸ HTR3C Q8WXA8 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ DHODH Q02127 2/20 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
SCHEMBL8063146 0.88 ALOX15 (0.63) ALOX15HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL27701421 0.87 ALOX15 (0.61) ALOX15HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL396614 0.81 HPGD (0.64) ALOX15HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL30065410 0.81 HPGD (0.64) ALOX15HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL28611035 0.79 HPGD (0.62) ALOX15HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL27467736 0.79 ALOX15 (0.77) ALOX15HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL4274235 0.77 ALDH1A1 (0.53) ALOX15HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL376962 0.76 ALOX15 (0.47) ALOX15HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL297225 0.75 ALOX15 (1.00) ALOX15HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL10202005 0.74 ALOX15 (0.79) ALOX15HPGDLMNASMN1; SMN2ALDH1A1

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
EP-0722942-A1 Indole piperidine derivatives MERCK PATENT GmbH (DE) 1996-07-24 — — EP disclosed
Send feedback