SCHEMBL11549646

SCHEMBL11549646

Nc1cccc(Cc2ccccc2)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ BCL2L1 Q07817 2/20 0.44
▸ BID P55957 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ BAK1 Q16611 1/20 0.44
▸ FOLH1 Q04609 3/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ PTPN1 P18031 4/20 0.42
▸ PTPN2 P17706 1/20 0.42
▸ PTPN6 P29350 1/20 0.42
▸ LDHA P00338 1/20 0.42
▸ LDHB P07195 1/20 0.42
▸ PLA2G10 O15496 1/20 0.42
▸ PLA2G2A P14555 1/20 0.42

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
SCHEMBL20503737 0.89 MMP2 (0.44) ALDH1A1GAAMAPTBCL2L1BID
SCHEMBL17228259 0.81 BCL2 (0.51) MEN1ALDH1A1LMNAGAAMAPT
SCHEMBL200212 0.80 TSHR (0.59) ALDH1A1TSHRBCL2L1BIDMCL1
SCHEMBL11549062 0.80 MEN1 (0.46) MEN1ALDH1A1LMNAGAAMAPT
SCHEMBL5202410 0.80 BID (0.66) BCL2L1BIDMCL1BAK1PTPN1
SCHEMBL8477665 0.79 MMP2 (0.42) LMNAGAABCL2L1BIDMCL1
SCHEMBL8477659 0.79 MMP2 (0.42) GAAMAPTBCL2L1BIDMCL1
SCHEMBL321003 0.79 GABRA1 (0.45) ALDH1A1GAAMAPTBCL2L1BID
SCHEMBL343520 0.79 TSHR (0.57) ALDH1A1TSHRBCL2L1BIDMCL1
SCHEMBL11322877 0.79 TSHR (0.45) MEN1KMT2ATSHRBCL2L1BID

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