SCHEMBL9599890

SCHEMBL9599890

O=C(Cl)c1cccnc1OC(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.54
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.40
GRM4 Q14833 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NAPRT Q6XQN6 1/20 0.40
ALOX15 P16050 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TYK2 P29597 1/20 0.38
MAPT P10636 2/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CYP3A4 P08684 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
SCHEMBL3932209 0.85 NAPRT (0.53) TRPV4ALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL20524513 0.83 RAB9A (0.54) TRPV4ALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL30843202 0.83 ALDH1A1 (0.61) TRPV4ALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL22259349 0.81 TDP1 (0.60) TRPV4ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL6609846 0.77 TDP1 (0.47) ALDH1A1LMNARAB9ASMN1; SMN2L3MBTL1
SCHEMBL31306844 0.77 L3MBTL1 (0.54) ALDH1A1LMNARAB9ASMN1; SMN2L3MBTL1
SCHEMBL1092405 0.76 TRPV4 (0.43) TRPV4NAPRTL3MBTL1TDP1TYK2
Hydrochloric Acid SCHEMBL3898462 0.76 TDP1 (0.46) ALDH1A1LMNARAB9ASMN1; SMN2L3MBTL1
SCHEMBL30990036 0.75 MAPT (0.36) LMNASMN1; SMN2MAPTTSHR
SCHEMBL4731077 0.75 NPC1 (0.59) ALDH1A1LMNASMN1; SMN2L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5212186-A Asthma, anticoagulant BEIERSDORF AKTIENGESELLSCHAFT (DE) 1993-05-18 US disclosed