SCHEMBL724222

SCHEMBL724222

O=C(c1ccc(F)cc1)c1c[nH]cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
NPC1 O15118 6/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 1/20 0.39
VNN1 O95497 1/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ALPG P10696 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL11048385 0.84 SRD5A2 (0.47) NPC1CES2CES1CA1CA2
SCHEMBL11051578 0.82 ALDH1A1 (0.52) NPC1CES2CES1RAB9ASMN1; SMN2
SCHEMBL10958770 0.81 KMT2A (0.53) NPC1CES2CES1RAB9ASMN1; SMN2
SCHEMBL7509763 0.78 CA1 (0.44) NPC1CA1CA2RAB9AVNN1
SCHEMBL11053630 0.78 HPGD (0.53) NPC1RXFP1CES2CES1CA1
SCHEMBL5752399 0.78
SCHEMBL11049942 0.75 SMN1; SMN2 (0.49) NPC1CES2CES1RAB9ASMN1; SMN2
SCHEMBL27601950 0.75 KMT2A (0.44) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL27717747 0.71 LTA4H (0.47) LTA4HNPC1RXFP1CES2CES1
SCHEMBL5223245 0.71 L3MBTL1 (0.52) SMN1; SMN2KMT2ALMNATP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4504183-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS Veru Inc. (US) 2025-02-12 EP disclosed
CN-117396505-A Methods of treating inflammation 维鲁公司 2024-01-12 CN disclosed
WO-2023196632-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS VERU INC. (US) 2023-10-12 WO disclosed
EP-3793549-A1 COMPOUNDS FOR TREATMENT OF TRIPLE NEGATIVE BREAST CANCER AND OVARIAN CANCER University of Tennessee Research Foundation (US) 2021-03-24 EP disclosed
WO-2012027481-A9 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2013-10-10 WO disclosed
EP-2608671-A1 COMPOUNDS FOR TREATMENT OF CANCER Gtx, Inc. (US) 2013-07-03 EP disclosed
WO-2012027481-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2012-03-01 WO disclosed