SCHEMBL17584957

SCHEMBL17584957

N=c1n(CCCN)c2ccc(CO)cc2n1Cc1cccc2cccnc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.39
▸ TSHR P16473 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ PIK3C2B O00750 1/20 0.34
▸ SLC5A2 P31639 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ DAO P14920 1/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HSP90AA1 P07900 2/20 0.32
▸ HSP90AB1 P08238 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CXCR3 P49682 1/20 0.31

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
SCHEMBL8255746 0.85 PIK3C2B (0.43) SLC22A12TSHRLMNAPIK3C2BALDH1A1
SCHEMBL2542294 0.74 RPS6KA5 (0.41) SLC22A12PIK3C2BALDH1A1DAOADORA2A
SCHEMBL2539136 0.74 SLC22A12 (0.43) SLC22A12PIK3C2BDAOADORA2AADORA1
SCHEMBL8258425 0.70 PIK3C2B (0.43) TSHRLMNAPIK3C2BALDH1A1KDM4E
SCHEMBL12532489 0.69 LMNA (0.43) SLC22A12TSHRLMNASLC5A2ALDH1A1
SCHEMBL8256510 0.69 LMNA (0.43) LMNASLC5A2ALDH1A1DAO
SCHEMBL8256125 0.67 PIK3C2B (0.46) TSHRPIK3C2BKDM4EMAPTTDP1
SCHEMBL14271694 0.65 HSP90AA1 (0.39) SLC22A12ALDH1A1MAPTDAOADORA2A
SCHEMBL8285519 0.65 TRPC5 (0.54) LMNAPIK3C2BALDH1A1KDM4EMAPT
SCHEMBL30003476 0.63 TSHR (0.55) TSHRLMNAALDH1A1KDM4EMAPT

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
EP-1951704-B1 1,3-DIHYDRO-BENZIMIDAZOL-2-YLIDENE AMINES USEFUL FOR THE TREATMENT OR PREVENTION OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2016-03-16 — — EP disclosed
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