SCHEMBL27710643

SCHEMBL27710643

NC(=O)c1cccc(C(N)=O)c1-c1cc(F)cc([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CDC7 O00311 1/20 0.42
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ MITF O75030 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CCR6 P51684 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ CASP1 P29466 1/20 0.39
▸ POLB P06746 2/20 0.39

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
SCHEMBL27940758 0.83 PARP1 (0.46) TSHRALDH1A1KMT2ALMNACDC7
SCHEMBL27940770 0.82 TSHR (0.58) TSHRALDH1A1KMT2ALMNACDC7
SCHEMBL27922031 0.79 PARP1 (0.57) TSHRALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL27710606 0.77 HSD17B1 (0.42) TSHRALDH1A1LMNACDC7MAPT
SCHEMBL27710553 0.77 AURKA (0.44) ALDH1A1KMT2ALMNASMN1; SMN2CYP3A4
SCHEMBL27710534 0.77 PARP1 (0.41) TSHRALDH1A1KMT2ALMNACDC7
SCHEMBL27710515 0.76 DGAT1 (0.45) ALDH1A1LMNASMN1; SMN2CDC7PARP1
SCHEMBL29655102 0.75 PGR (0.40) TSHRALDH1A1KMT2ALMNACYP3A4
SCHEMBL27730961 0.75 ALDH1A1 (0.44) TSHRALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL27940776 0.75 PARP1 (0.53) LMNACDC7PARP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101186586-A N,N'-difluorophenyl derivative of 4-methoxyl-1,3-phthalamide and use thereof UNIV TIANJIN TECHNOLOGY (CN) 2008-05-28 — — CN claimed
CN-101186586-B N,N'-difluorophenyl derivative of 4-methoxyl-1,3-phthalamide and use thereof UNIV TIANJIN TECHNOLOGY 2010-06-30 — — CN disclosed
CN-101186586-A N,N'-difluorophenyl derivative of 4-methoxyl-1,3-phthalamide and use thereof UNIV TIANJIN TECHNOLOGY (CN) 2008-05-28 — — CN disclosed
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