SCHEMBL11451986

SCHEMBL11451986

CN1CCN(C)C1c1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.47
▸ RAD52 P43351 1/20 0.46
▸ KDM1A O60341 2/20 0.44
▸ DRD1 P21728 1/20 0.42
▸ DRD5 P21918 1/20 0.42
▸ HTR2C P28335 4/20 0.40
▸ HTR2B P41595 4/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RCOR1 Q9UKL0 1/20 0.40
▸ SLC6A2 P23975 2/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 1/20 0.39

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
SCHEMBL10046448 0.83 BRD4 (0.51) BRD4RAD52KDM1ADRD1DRD5
SCHEMBL23323094 0.75 CHRNB2 (0.58) —
SCHEMBL4009783 0.74 DRD2 (0.51) HTR2CHTR2BALDH1A1HTR2A
SCHEMBL11461916 0.74 HTR1A (0.44) BRD4RAD52KDM1ADRD1DRD5
SCHEMBL24005479 0.71 BACE1 (0.44) BRD4RAD52KDM1ADRD1DRD5
SCHEMBL24005869 0.71 ACHE (0.40) BRD4RAD52KDM1ADRD1DRD5
SCHEMBL1836103 0.70 RECQL (0.54) BRD4ALDH1A1HTTPRCP
SCHEMBL25236332 0.67 GSK3B (0.48) BRD4RAD52KDM1ADRD1DRD5
SCHEMBL10046437 0.67 KDM1A (0.50) BRD4KDM1AHTR2CHTR2BCYP3A4
SCHEMBL29427088 0.67 KDM1A (0.50) BRD4KDM1AHTR2CHTR2BCYP3A4

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-4188343-A Process for preparing anthranylaldehyde derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1980-02-12 — — US disclosed
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