SCHEMBL2484099

SCHEMBL2484099

COC(=O)c1ccc(F)cc1B(O)O.COC(=O)c1ccc(F)cc1Sc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 1/20 0.39
PLA2G2A P14555 2/20 0.38
SLC6A9 P48067 5/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37

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
SCHEMBL1742169 0.91 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EMAPTSLC6A4
SCHEMBL1743546 0.83 SLC6A4 (0.46) ALDH1A1HPGDKDM4EMAPTSLC6A4
SCHEMBL9323438 0.77 HSD17B10 (0.48) ALDH1A1HPGDKDM4EMAPTL3MBTL1
SCHEMBL18123682 0.76 KDM4E (0.54) ALDH1A1HPGDKDM4EMAPTTDP1
SCHEMBL10597129 0.75 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTTDP1L3MBTL1
SCHEMBL9323068 0.75 ABL1 (0.53) ALDH1A1HPGDKDM4EMAPTSLC6A4
SCHEMBL8113878 0.74 CFTR (0.56) ALDH1A1HPGDKDM4EMAPTSLC6A4
SCHEMBL18641503 0.74 MAPT (0.46) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL5887723 0.74 SIRT1 (0.61) ALDH1A1KDM4EMAPTSLC6A3TDP1
SCHEMBL28189180 0.72 SIRT1 (0.54) ALDH1A1KDM4EMAPTSLC6A3TDP1

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
EP-2376480-A2 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 EP disclosed
WO-2010065865-A2 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 WO disclosed