SCHEMBL8622181

SCHEMBL8622181

c1ccc(Nc2ccc3c4c(cccc24)CC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 1.00
MEN1 O00255 6/20 1.00
KMT2A Q03164 6/20 1.00
HPGD P15428 5/20 1.00
GAA P10253 4/20 1.00
ATM Q13315 2/20 1.00
POLB P06746 2/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
MAPT P10636 7/20 0.57
KDM4E B2RXH2 5/20 0.57
GLA P06280 1/20 0.57
RECQL P46063 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HSD17B10 Q99714 2/20 0.53
TP53 P04637 2/20 0.52
TSHR P16473 2/20 0.52
CYP3A4 P08684 2/20 0.52
ALOX15 P16050 1/20 0.52
CDC25B P30305 1/20 0.52
LMNA P02545 4/20 0.49

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
SCHEMBL8623900 0.85 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL11962221 0.76 GAA (0.85) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL8714067 0.76 KDM4E (0.67) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL6628730 0.76 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL31270892 0.76 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL27575532 0.75 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL17740736 0.74 MEN1 (0.61) ALDH1A1MEN1KMT2AHPGDGAA
Hydrochloric Acid SCHEMBL29913261 0.74 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AHPGDGAA
Hydrochloric Acid SCHEMBL27157845 0.74 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL6404861 0.74 MEN1 (1.00) ALDH1A1MEN1KMT2AHPGDGAA

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-5728500-A ELECTROGRAPHY FOR ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 1998-03-17 US disclosed