SCHEMBL7526015

SCHEMBL7526015

CCc1nn(Cc2ccccc2)c2cc(Br)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.50
PTGDR2 Q9Y5Y4 2/20 0.46
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
GALR3 O60755 1/20 0.43
GAA P10253 1/20 0.43
NPY1R P25929 1/20 0.43
STAT3 P40763 1/20 0.43
NPY2R P49146 1/20 0.43
AKR1B1 P15121 1/20 0.43
SLC16A3 O15427 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL5103746 0.84 CNR1 (0.44) SLC22A12MAPTKMT2APDE5A
SCHEMBL176824 0.83 SLC22A12 (0.53) SLC22A12SLC16A3KHKPDE5A
SCHEMBL11975934 0.83 SLC22A12 (0.67) SLC22A12
SCHEMBL683164 0.82 ADORA2A (0.43) SLC22A12PTGDR2MAPTGAAAKR1B1
SCHEMBL8373357 0.82 SLC16A3 (0.58) SLC22A12MAPTSLC16A3ALDH1A1CYP1A2
SCHEMBL11977395 0.81 SLC22A12 (0.67) SLC22A12PTGDR2AKR1B1
SCHEMBL2551135 0.80 KHK (0.61) ALDH1A1KHK
SCHEMBL683169 0.80 ADORA2A (0.46) SLC22A12PTGDR2AKR1B1ALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL906049 0.78 ADORA2A (0.45) SLC22A12PTGDR2AKR1B1ALDH1A1SMN1; SMN2
SCHEMBL906047 0.75 HTR2C (0.51) SLC22A12CYP1A2CYP3A4

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-0983249-B1 PROCESSES AND INTERMEDIATES FOR PREPARING SUBSTITUTED INDAZOLE DERIVATIVES PFIZER PROD INC (US) 2002-03-13 EP disclosed
US-6011159-A Processes and intermediates for preparing substituted indazole derivatives PFIZER INC (US) 2000-01-04 US disclosed