SCHEMBL11462599

SCHEMBL11462599

CCN(CC)c1ncnc2c1ncn2Cc1c(F)cccc1Cl

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.84
▸ LMNA P02545 1/20 0.84
▸ ALDH1A1 P00352 3/20 0.54
▸ TSHR P16473 3/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ HTT P42858 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ MAPK1 P28482 1/20 0.45
▸ PDE5A O76074 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE1A P54750 1/20 0.43
▸ PDE1B Q01064 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ PDE3B Q13370 1/20 0.43

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
SCHEMBL11459769 0.92 SMN1; SMN2 (1.00) SMN1; SMN2LMNAALDH1A1TSHRNPSR1
SCHEMBL11151054 0.90 SMN1; SMN2 (0.67) SMN1; SMN2LMNAALDH1A1TSHRNPSR1
Arprinocid SCHEMBL126655 0.81 ADORA2A (0.60) SMN1; SMN2LMNAALDH1A1TSHRNPSR1
Arprinocid SCHEMBL8375355 0.81 ADORA2A (0.60) SMN1; SMN2LMNAALDH1A1TSHRNPSR1
Arprinocid SCHEMBL31025603 0.81 ADORA2A (0.60) SMN1; SMN2LMNAALDH1A1TSHRNPSR1
SCHEMBL11017499 0.81 PDE4A (0.65) SMN1; SMN2LMNAMAPK1PDE5APDE4A
Arprinocid SCHEMBL31379008 0.81 ADORA2A (0.60) SMN1; SMN2LMNAALDH1A1TSHRNPSR1
SCHEMBL11452542 0.81 HTT (0.59) SMN1; SMN2LMNAALDH1A1TSHRNPSR1
SCHEMBL10442061 0.81 CYP1A2 (0.61) SMN1; SMN2LMNAMAPK1PDE5APDE4A
SCHEMBL11454110 0.81 SMN1; SMN2 (0.79) SMN1; SMN2LMNAALDH1A1TSHRNPSR1

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-4189485-A ANTICOCCIDIAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-02-19 — — US disclosed
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