SCHEMBL4442256

SCHEMBL4442256

O=[N+]([O-])c1ccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.78
▸ TSHR P16473 8/20 0.78
▸ RAB9A P51151 7/20 0.78
▸ NPC1 O15118 5/20 0.78
▸ SMN1; SMN2 Q16637 3/20 0.78
▸ HSD17B10 Q99714 7/20 0.67
▸ POLB P06746 4/20 0.67
▸ MITF O75030 1/20 0.67
▸ MAPT P10636 1/20 0.67
▸ ATM Q13315 1/20 0.67
▸ OPRK1 P41145 2/20 0.64
▸ HPGD P15428 4/20 0.59
▸ ALOX15 P16050 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ LMNA P02545 4/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ CYP2C9 P11712 1/20 0.56

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
SCHEMBL3904525 0.88 ALDH1A1 (1.00) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL3906023 0.85 TSHR (0.88) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL3903043 0.81 ALDH1A1 (0.81) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL3908316 0.81 ALDH1A1 (0.81) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL3913214 0.77 ALDH1A1 (0.77) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL14478840 0.75 ALDH1A1 (0.74) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL9402270 0.74 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPT
SCHEMBL9402222 0.74 LMNA (0.49) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL4215463 0.74 ALDH1A1 (0.71) ALDH1A1TSHRNPC1SMN1; SMN2MAPT
SCHEMBL9402213 0.74 KDM4E (0.63) ALDH1A1TSHRSMN1; SMN2MAPTOPRK1

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
WO-2009113795-A2 VECTOR AND METHOD FOR EXPRESSING AVIAN INFLUENZA VIRUS NEURAMINIDASE N1 IN E. COLI, METHOD OF USING THE VECTOR, AND NEURAMINIDASE INHIBITORS INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2009-09-17 — — WO claimed
WO-2009113795-A2 VECTOR AND METHOD FOR EXPRESSING AVIAN INFLUENZA VIRUS NEURAMINIDASE N1 IN E. COLI, METHOD OF USING THE VECTOR, AND NEURAMINIDASE INHIBITORS INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2009-09-17 — — WO disclosed
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