SCHEMBL8380817

SCHEMBL8380817

CSc1nc2ccccc2n1-c1nccc(OCCN(Cc2ccccc2)C2CCCCC2)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PTAFR P25105 2/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PDPK1 O15530 1/20 0.30

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
SCHEMBL8441755 0.83 MEN1 (0.39) MEN1KMT2AATMMAPTPOLB
SCHEMBL8380821 0.81 PTAFR (0.33) MEN1KMT2ASMN1; SMN2MAPTPOLB
SCHEMBL8440546 0.79 NPSR1 (0.38) MEN1KMT2AMAPTPTGS2NPSR1
SCHEMBL8443544 0.78 HTR1D (0.36) MEN1KMT2ATSHRSMN1; SMN2MAPT
SCHEMBL8439249 0.78 KDM4E (0.38) MEN1KMT2ATSHRSMN1; SMN2MAPT
SCHEMBL8443199 0.77 TDP1 (0.43) TSHRSMN1; SMN2MAPTPOLBCYP2D6
SCHEMBL8441858 0.76 CYP2D6 (0.44) MAPTPOLBCYP2D6DRD2DRD3
SCHEMBL8672721 0.76 PTGS2 (0.40) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL8551375 0.75 KDM4E (0.39) MEN1KMT2ATSHRSMN1; SMN2MAPT
SCHEMBL8668966 0.74 SMN1; SMN2 (0.38) KMT2ASMN1; SMN2MAPTALDH1A1PTGS2

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-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 — — US claimed
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 — — US disclosed
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