SCHEMBL11501462

SCHEMBL11501462

c1ccc(Cc2ccccc2-c2c3ccccc3nc3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.45
▸ KMT2A Q03164 6/20 0.43
▸ POLB P06746 1/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ ELANE P08246 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MAOA P21397 2/20 0.39

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
SCHEMBL5707682 0.80 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL27812372 0.80 DPP4 (0.52) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL28193344 0.77 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL30768162 0.77 CALM1 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11501464 0.77 ESR1 (0.45) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6229874 0.76 CALM1 (0.58) SMN1; SMN2CYP3A4KMT2AMEN1ELANE
SCHEMBL27741243 0.75 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17360626 0.74 GPR55 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL29040201 0.74 CALM1 (0.55) SMN1; SMN2CYP3A4KMT2AMEN1ELANE
SCHEMBL19608972 0.73 ADORA2A (0.56) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6

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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