SCHEMBL7609002

SCHEMBL7609002

NC(=O)N(c1ccc(C(=O)O)cc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.55
NR4A2 P43354 2/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
CRHBP P24387 1/20 0.44
HTT P42858 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
CES2 O00748 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CFTR P13569 1/20 0.42
DHODH Q02127 1/20 0.41
MRGPRX4 Q96LA9 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
SCHEMBL7738559 0.90 SRD5A2 (0.52) SRD5A2NR4A2MEN1KMT2ANPC1
SCHEMBL28217598 0.90 PTGIR (0.46) SRD5A2MEN1KMT2ARAB9AHTT
SCHEMBL5606524 0.88 CES2 (0.50) SRD5A2MEN1KMT2ARAB9AHTT
SCHEMBL7739130 0.83 CES2 (0.50) SRD5A2MEN1KMT2ACES2ALDH1A1
SCHEMBL1304443 0.80 TSHR (0.50) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL7589927 0.80 MAPT (0.45) MEN1KMT2ARAB9APOLBHTT
SCHEMBL31188158 0.79 TACR1 (0.49) RXRARXRBRXRGCES2ALDH1A1
SCHEMBL7741946 0.78 KDM4E (0.49) SRD5A2MEN1KMT2ACES2KDM4E
SCHEMBL28655154 0.78 CES2 (0.39) MEN1KMT2AHTTCES2ALDH1A1
SCHEMBL27653563 0.78 P2RX1 (0.41) MEN1KMT2ACES2ALDH1A1

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-0906273-B1 PHENYL DERIVATIVES CONTAINING AN ACIDIC GROUP, THEIR PREPARATION AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH AS (DK) 2002-10-16 EP disclosed
US-6417393-B1 TREATMENT OF SICKLE-CELL ANEMIA, BRAIN EDEMA FROM TUMORS OR ISCHEMIA, DIARRHEA, AND GLAUCOMA; HYPOTENSIVE, WOUND HEALING, ANTIINFLAMMATORY AND ANTIALLERGEN AGENTS NEUROSEARCH A/S (DK) 2002-07-09 US disclosed
EP-0906273-A1 PHENYL DERIVATIVES CONTAINING AN ACIDIC GROUP, THEIR PREPARATION AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 1999-04-07 EP disclosed
WO-1997045400-A1 PHENYL DERIVATIVES CONTAINING AN ACIDIC GROUP, THEIR PREPARATION AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 1997-12-04 WO disclosed