SCHEMBL7702093

SCHEMBL7702093

C=CCNc1ccccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 4/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 2/20 0.44
MITF O75030 1/20 0.44
NSD2 O96028 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
MAOA P21397 1/20 0.43
ADRA1D P25100 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
SCHEMBL5824157 0.88 KMT2A (0.49) ADRB2ADRB1ALDH1A1HPGDKDM4E
SCHEMBL7633773 0.83 ADRB2 (0.44) ADRB2ADRB1ALDH1A1HPGDKDM4E
SCHEMBL6406226 0.81 HCAR3 (0.40) ADRB2ADRB1ALDH1A1KDM4EHTT
SCHEMBL4784858 0.81 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EHTTKMT2A
SCHEMBL28810980 0.81 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EHTTKMT2A
SCHEMBL7695975 0.80 PTGDR2 (0.39) ADRB2ADRB1ALDH1A1KDM4EHTT
SCHEMBL21385504 0.79 KMT2A (0.42) ALDH1A1HPGDKDM4EHTTKMT2A
SCHEMBL28039342 0.78 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EHTTKMT2A
SCHEMBL11957892 0.75 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EHTTKMT2A
SCHEMBL26064904 0.75 CA12 (0.41) ALDH1A1HPGDKDM4EHTTKMT2A

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-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
US-4913934-A IMPROVING BONDING BETWEEN LAYERS AND MAINTAINING TRANSPARENCY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1990-04-03 US disclosed