SCHEMBL4742437

SCHEMBL4742437

CNc1cc(N2CCCC2)ccc1/N=N/c1c(C#N)cnn1-c1ncccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 3/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CCNT1 O60563 2/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CDK9 P50750 2/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
CCNA1 P78396 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL4742452 0.88 ALDH1A1 (0.37) ALDH1A1TSHRLMNATDP1MAPT
SCHEMBL4742439 0.88 ALDH1A1 (0.38) ALDH1A1TSHRLMNATDP1MAPT
SCHEMBL4742428 0.82 KCNH2 (0.35) ALDH1A1TSHRLMNATDP1MAPT
SCHEMBL4742453 0.80 ALDH1A1 (0.32) ALDH1A1TSHRLMNAKMT2ASMN1; SMN2
SCHEMBL10101825 0.74 TSHR (0.33) ALDH1A1TSHRLMNATDP1MAPT
SCHEMBL10101956 0.74 ALOX15 (0.36) ALDH1A1TSHRLMNATDP1MAPT
SCHEMBL10101972 0.73 CNR2 (0.34) ALDH1A1TSHRLMNATDP1SMN1; SMN2
SCHEMBL10101897 0.72 ALDH1A1 (0.35) ALDH1A1TSHRLMNATDP1MAPT
SCHEMBL10101969 0.72 ALDH1A1 (0.36) ALDH1A1TSHRLMNATDP1MAPT
SCHEMBL10101913 0.72 ALDH1A1 (0.35) ALDH1A1TSHRLMNATDP1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8177861-B2 AZO pigment, pigment dispersion containing the AZO pigment, and coloring composition FUJIFILM CORPORATION (JP) 2012-05-15 US disclosed
US-8177861-B2 AZO pigment, pigment dispersion containing the AZO pigment, and coloring composition FUJIFILM CORPORATION (JP) 2012-05-15 US disclosed
US-20110021764-A1 AZO PIGMENT, PIGMENT DISPERSION CONTAINING THE AZO PIGMENT, AND COLORING COMPOSITION FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed
US-20110021764-A1 AZO PIGMENT, PIGMENT DISPERSION CONTAINING THE AZO PIGMENT, AND COLORING COMPOSITION FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed