SCHEMBL30477668

SCHEMBL30477668

O=C(Cl)c1cccnc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.48
NAPRT Q6XQN6 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 2/20 0.42
HCRTR1 O43613 3/20 0.42
HCRTR2 O43614 3/20 0.42
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL2148942 1.00 HDAC6 (0.48) HDAC6NAPRTLMNASMN1; SMN2ALDH1A1
SCHEMBL27764496 0.85 HDAC6 (0.50) HDAC6NAPRTLMNASMN1; SMN2ALDH1A1
SCHEMBL413572 0.83 NAPRT (0.58) HDAC6NAPRTLMNASMN1; SMN2ALDH1A1
SCHEMBL29488337 0.83 NAPRT (0.58) HDAC6NAPRTLMNASMN1; SMN2ALDH1A1
SCHEMBL24314845 0.83 HDAC6 (0.43) HDAC6NAPRTLMNASMN1; SMN2ALDH1A1
SCHEMBL18033657 0.81 HDAC6 (0.48) HDAC6NAPRTLMNASMN1; SMN2ALDH1A1
SCHEMBL628397 0.81 PARP1 (0.51) HDAC6NAPRTLMNASMN1; SMN2ALDH1A1
SCHEMBL29687007 0.81 PARP1 (0.51) HDAC6NAPRTLMNASMN1; SMN2ALDH1A1
SCHEMBL29646334 0.81 P2RX7 (0.58) HDAC6NAPRTALDH1A1HCRTR1HCRTR2
SCHEMBL1447540 0.81 P2RX7 (0.58) HDAC6NAPRTALDH1A1HCRTR1HCRTR2

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
CN-119638619-A Indan pyridine amide compound and preparation method and application thereof 盐城工学院 2025-03-18 CN disclosed
CN-119176800-A Pyridine thiophene acetamide compound and preparation method and application thereof 盐城工学院 2024-12-24 CN disclosed
CN-111741945-B Crystalline forms 先正达参股股份有限公司 2024-01-09 CN disclosed
CN-111417618-B Process for preparing enantiomerically and diastereomerically enriched cyclobutane amines and amides 先正达参股股份有限公司 2023-06-30 CN disclosed