SCHEMBL31757136

SCHEMBL31757136

NN(N)c1ccc(Cc2ccc(N(N)N)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.55
ALDH1A1 P00352 3/20 0.55
TSHR P16473 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
MAPK1 P28482 1/20 0.55
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CALM1 P0DP23 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
STS P08842 1/20 0.34
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL76217 0.71 ALDH1A1 (1.00) CYP3A4ALDH1A1TSHRTDP1MAPK1
SCHEMBL12679051 0.71 ALDH1A1 (1.00) CYP3A4ALDH1A1TSHRTDP1MAPK1
SCHEMBL10654821 0.71 ALDH1A1 (0.55) CYP3A4ALDH1A1TSHRTDP1MAPK1
SCHEMBL9149010 0.69 CYP3A4 (0.55) CYP3A4ALDH1A1TSHRTDP1MAPK1
Hydrochloric Acid SCHEMBL1450346 0.69 ALDH1A1 (0.94) CYP3A4ALDH1A1TSHRTDP1MAPK1
SCHEMBL14226502 0.67 CYP3A4 (0.64) CYP3A4ALDH1A1TSHRTDP1MAPK1
SCHEMBL9768685 0.67 CALM1 (0.55) CYP3A4ALDH1A1TSHRTDP1MAPK1
SCHEMBL14018354 0.67 CALM1 (0.55) CYP3A4ALDH1A1TSHRTDP1MAPK1
SCHEMBL1655689 0.67 ALDH1A1 (0.60) CYP3A4ALDH1A1TSHRTDP1MAPK1
SCHEMBL10659841 0.67 CALM1 (0.63) CYP3A4ALDH1A1TSHRTDP1MAPK1

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-4674515-A1 POLYMER SOLUTIONS FOR THE PREPARATION OF POLYMER MEMBRANES Elantas GmbH (DE) 2026-01-07 EP disclosed