SCHEMBL9706507

SCHEMBL9706507

O=C(Cl)CCc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
LMNA P02545 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
NPY5R Q15761 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
TBXAS1 P24557 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
NAMPT P43490 1/20 0.41
HRH1 P35367 2/20 0.41
KEAP1 Q14145 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
SCHEMBL9706340 0.88 HRH1 (0.47) FFAR1LMNALOXL2TDP1KDM4E
Hydrochloric Acid SCHEMBL11316021 0.86 HRH1 (0.46) FFAR1LMNALOXL2TDP1KDM4E
SCHEMBL9135914 0.84 FFAR1 (0.50) FFAR1LMNATDP1KDM4EHDAC2
SCHEMBL6573723 0.82 FFAR1 (0.52) FFAR1LMNALOXL2NPY5RTDP1
SCHEMBL333186 0.80 FFAR1 (0.70) FFAR1LMNANPY5RTDP1TBXAS1
SCHEMBL1677975 0.78 ALDH1A1 (0.63) FFAR1LMNALOXL2NPY5RTDP1
SCHEMBL660683 0.78 LOXL2 (0.52) FFAR1LMNALOXL2NPY5RTDP1
SCHEMBL4662980 0.78 FFAR1 (0.49) FFAR1LMNALOXL2NPY5RTDP1
Hydrochloric Acid SCHEMBL8937697 0.78 FFAR1 (0.68) FFAR1LMNANPY5RTDP1TBXAS1
SCHEMBL26111039 0.78 FFAR1 (0.68) FFAR1LMNANPY5RTDP1TBXAS1

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-0198325-B1 SUBSTITUTED ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1992-07-15 EP disclosed
US-4891429-A CHEMICAL INTERMEDIATES HOFFMANN-LA ROCHE INC. (US) 1990-01-02 US disclosed
US-4696930-A CARDIOVASCULAR DISORDERS, ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1987-09-29 US disclosed
EP-0198325-A2 Substituted aniline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1986-10-22 EP disclosed