SCHEMBL11765293

SCHEMBL11765293

N#CCc1ccc(Cc2ccc(Cl)cc2)c(N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HSP90AB1 P08238 1/20 0.38
▸ MPO P05164 1/20 0.38
▸ CYP2A6 P11509 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ADCY10 Q96PN6 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ MAOA P21397 1/20 0.33

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
SCHEMBL10567164 0.85 ENPP2 (0.40) KDM4EENPP2
SCHEMBL9419742 0.81 MAPT (0.37) MAPTMEN1KMT2AHSP90AB1MPO
SCHEMBL8993309 0.77 MAPT (0.41) MAPTMEN1KMT2AHSP90AB1CYP2A6
SCHEMBL28307656 0.75 CYP2A6 (0.49) MAPTMEN1KMT2ACYP2A6ALDH1A1
SCHEMBL10548363 0.75 ENPP2 (0.46) MAPTMEN1KMT2ALMNAHTT
SCHEMBL38192 0.74 IDO1 (0.46) MAPTMEN1KMT2ACYP2A6ALDH1A1
Ammonia Solution, Strong SCHEMBL28306691 0.74 CYP2A6 (0.47) MAPTMEN1KMT2ACYP2A6ALDH1A1
SCHEMBL7999091 0.73 ENPP2 (0.41) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9364439 0.73 SLC6A4 (0.41) MAPTMEN1KMT2ACYP2A6ALDH1A1
Methane SCHEMBL4574569 0.72 IDO1 (0.44) MAPTMEN1KMT2ACYP2A6ALDH1A1

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
US-4005218-A Antiparasitic salicylanilide derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1977-01-25 — — US disclosed
Send feedback