SCHEMBL11501464

SCHEMBL11501464

c1ccc(Cc2cccc3nc4ccccc4c(-c4ccccc4)c23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.45
▸ ESR2 Q92731 3/20 0.45
▸ POLB P06746 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ DHFR P00374 1/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ELANE P08246 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL11501462 0.77 SMN1; SMN2 (0.45) POLBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29204421 0.73 CYP1A2 (0.53) ESR1ESR2CYP1A2CYP3A4CYP2C9
SCHEMBL28027778 0.73 ESR1 (0.50) ESR1ESR2POLBCYP1A2CYP3A4
SCHEMBL28811029 0.73 ESR1 (0.50) ESR1ESR2POLBCYP1A2CYP3A4
SCHEMBL27500599 0.73 KDM4E (0.53) ESR1ESR2POLBCYP1A2CYP3A4
SCHEMBL27872521 0.73 ESR1 (0.50) ESR1ESR2POLBCYP1A2CYP3A4
SCHEMBL11501463 0.73 ESR1 (0.58) ESR1ESR2POLBCYP3A4CYP2C19
SCHEMBL29514776 0.73 ESR1 (0.73) ESR1ESR2POLBCYP1A2CYP3A4
SCHEMBL194068 0.73 ESR1 (0.73) ESR1ESR2POLBCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL29204422 0.72 CYP1A2 (0.51) ESR1ESR2CYP1A2CYP3A4CYP2C9

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-4244954-A Acridine compounds and methods of combatting viruses with them STERLING DRUG INC. (US) 1981-01-13 — — US disclosed
US-4150134-A Aminoalkoxy substituted 9(aryl or aralkyl)-acridines STERLING DRUG INC. (US) 1979-04-17 — — US disclosed
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