SCHEMBL11549062

SCHEMBL11549062

Nc1c(Cc2ccccc2)ccc(Cc2ccccc2)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PTPN1 P18031 3/20 0.44
▸ PTPN2 P17706 1/20 0.44
▸ PTPN6 P29350 1/20 0.44
▸ LDHA P00338 2/20 0.43
▸ LDHB P07195 2/20 0.43
▸ PLA2G10 O15496 1/20 0.43
▸ PLA2G2A P14555 1/20 0.43
▸ BCL2 P10415 1/20 0.42
▸ BCL2L1 Q07817 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HTR2A P28223 1/20 0.40

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
SCHEMBL9252625 0.88 BCL2L1 (0.47) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL11549646 0.80 MEN1 (0.45) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL27738449 0.77 PTPN1 (0.55) PTPN1PTPN2PTPN6BCL2BCL2L1
SCHEMBL3361331 0.76 TSHR (0.57) ALDH1A1PTPN1PTPN2PTPN6TSHR
SCHEMBL28606647 0.76 MEN1 (0.42) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL3048092 0.75 KDM4E (0.52) MEN1KMT2AALDH1A1
SCHEMBL4369651 0.75 PTPN1 (0.49) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL5202410 0.74 BID (0.66) PTPN1PTPN2PTPN6LDHALDHB
SCHEMBL200212 0.74 TSHR (0.59) ALDH1A1PTPN1PTPN2PTPN6BCL2L1
SCHEMBL27407359 0.74 LDHA (0.50) ALDH1A1MAPTPTPN1PTPN2PTPN6

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-4154745-A Isobenzofuran route to anthracycloquinones RESEARCH CORPORATION (US) 1979-05-15 — — US disclosed
US-4116981-A 5,12-EPOXY-NAPHTHACENE-6,11-DIONE DERIVATIVES Tsay, Yuh-Geng (TW) 1978-09-26 — — US disclosed
Send feedback