SCHEMBL11539640

SCHEMBL11539640

CCCN(Cc1ccc(Cl)cc1)C(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ HTT P42858 2/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ CCR1 P32246 1/20 0.48
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ POLB P06746 4/20 0.44
▸ LMNA P02545 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ RORC P51449 1/20 0.43

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
SCHEMBL6122081 0.87 ALDH1A1 (0.52) CNR2ALDH1A1HTTRAB9AMEN1
SCHEMBL22350658 0.79 ALDH1A1 (0.46) CNR2ALDH1A1HTTRAB9APOLB
SCHEMBL23028185 0.77 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL6414624 0.77 MEN1 (0.56) CNR2ALDH1A1HTTRAB9AMEN1
SCHEMBL9132014 0.77 HDAC1 (0.63) CNR2ALDH1A1HDAC1HDAC6GAA
SCHEMBL13064495 0.76 ALDH1A1 (0.50) CNR2ALDH1A1HTTRAB9ACCR1
SCHEMBL8867879 0.75 ALDH1A1 (0.49) CNR2ALDH1A1HTTRAB9ACCR1
SCHEMBL11540523 0.75 AHR (0.57) CNR2CCR1
SCHEMBL11015937 0.75 TSHR (0.50) ALDH1A1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL18668755 0.74 ALDH1A1 (0.51) CNR2ALDH1A1HTTRAB9AMEN1

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
US-4154945-A Fungicidal substituted imidazoles THE BOOTS COMPANY LIMITED (GB) 1979-05-15 — — US disclosed
US-4080462-A Fungicidal compositions containing substituted imidazoles THE BOOTS COMPANY LIMITED (EN) 1978-03-21 — — US disclosed
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