SCHEMBL8539257

SCHEMBL8539257

N#CC(C#N)=Cc1ccc(F)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.55
▸ ALDH1A1 P00352 9/20 0.55
▸ MAPT P10636 9/20 0.55
▸ MEN1 O00255 8/20 0.55
▸ KDM4E B2RXH2 6/20 0.55
▸ LMNA P02545 5/20 0.55
▸ POLB P06746 3/20 0.55
▸ NPSR1 Q6W5P4 3/20 0.55
▸ EGFR P00533 8/20 0.53
▸ CYP3A4 P08684 5/20 0.53
▸ HPGD P15428 5/20 0.53
▸ BLM P54132 5/20 0.53
▸ NFKB1 P19838 4/20 0.53
▸ PMP22 Q01453 4/20 0.53
▸ CYP2C9 P11712 4/20 0.53
▸ HSD17B10 Q99714 4/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ CYP1A2 P05177 4/20 0.53
▸ TSHR P16473 3/20 0.53
▸ ALOX15 P16050 3/20 0.53

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
SCHEMBL4656320 0.83 ALDH1A1 (0.61) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL4656260 0.83 ALDH1A1 (0.61) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL28791203 0.79 EGFR (0.59) KMT2AALDH1A1KDM4EPOLBEGFR
SCHEMBL29538020 0.79 EGFR (0.59) KMT2AALDH1A1KDM4EPOLBEGFR
SCHEMBL15298231 0.79 MEN1 (0.55) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL8539278 0.79 MAPT (0.55) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL15286783 0.78 ALDH1A1 (0.50) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL2151553 0.77 POLB (0.44) KMT2AALDH1A1MAPTKDM4EPOLB
SCHEMBL2151560 0.77 POLB (0.44) KMT2AALDH1A1MAPTKDM4EPOLB
SCHEMBL987696 0.77 MAPT (0.77) KMT2AALDH1A1MAPTMEN1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537949-B1 Antiproliferative derivatives of 4H-naphtho 1,2-b pyran LILLY CO ELI (GB) 1998-07-01 — — EP disclosed
US-5284868-A Naphthopyran derivatives; for autoimmune diseases, cancer ELI LILLY AND COMPANY (US) 1994-02-08 — — US disclosed
US-5281619-A Administering naphtho(1,2-B)pyran derivatives ELI LILLY AND COMPANY (US) 1994-01-25 — — US disclosed
EP-0537949-A1 Antiproliferative derivatives of 4H-naphtho 1,2-b pyran LILLY INDUSTRIES LIMITED (GB) 1993-04-21 — — EP disclosed
Send feedback