SCHEMBL9744198

SCHEMBL9744198

c1ccc(N=Nc2ccccc2N2CCc3ccccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
ROCK1 Q13464 1/20 0.40
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
SRD5A1 P18405 2/20 0.40
ALOX15 P16050 2/20 0.40
USP2 O75604 2/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 3/20 0.38
KDM4C Q9H3R0 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TSHR P16473 2/20 0.37

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
SCHEMBL9744187 0.82 SMN1; SMN2 (0.43) MAPK1LMNATP53ROCK1ALDH1A1
SCHEMBL9744183 0.71 ALDH1A1 (0.47) LMNAALDH1A1MEN1KMT2AALOX15
SCHEMBL9744177 0.71 ALDH1A1 (0.47) LMNAALDH1A1MEN1KMT2AALOX15
SCHEMBL29542545 0.71 ALDH1A1 (0.53) MAPK1LMNATP53ROCK1ALDH1A1
SCHEMBL3905172 0.71 ALDH1A1 (0.53) MAPK1LMNATP53ROCK1ALDH1A1
SCHEMBL8938754 0.70 LMNA (0.53) MAPK1LMNATP53ROCK1ALDH1A1
SCHEMBL25026229 0.68 ALDH1A1 (0.55) MAPK1LMNATP53ROCK1ALDH1A1
SCHEMBL6081885 0.68 MAPT (0.55) MAPK1LMNATP53ROCK1ALDH1A1
SCHEMBL28243658 0.68 LMNA (0.47) MAPK1LMNATP53ROCK1ALDH1A1
Hydrochloric Acid SCHEMBL10547839 0.68 MAPK1 (0.51) MAPK1LMNATP53ROCK1ALDH1A1

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-5155195-A Sidechain copolymers exhibiting nonlinear optical response HOECHST CELANESE CORP. (US) 1992-10-13 US disclosed