SCHEMBL7110355

SCHEMBL7110355

C=CCNC(=O)c1cccc(C(=O)NCC=C)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.67
ALDH1A1 P00352 3/20 0.67
LMNA P02545 3/20 0.67
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
PKM P14618 2/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
GAA P10253 2/20 0.55
CYP1A2 P05177 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPT P10636 1/20 0.54
HSD17B10 Q99714 1/20 0.53
POLB P06746 2/20 0.53
ALOX15 P16050 1/20 0.50

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
SCHEMBL7562053 0.92 HPGD (0.58) HPGDALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL15624559 0.90 HPGD (0.59) HPGDALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL31094962 0.88 RAB9A (0.71) HPGDALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL13745733 0.88 HPGD (0.58) HPGDALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL10304922 0.88 LMNA (0.71) HPGDALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL7112031 0.88 RAB9A (0.75) HPGDALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL83922 0.86 HPGD (0.86) HPGDALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL18586562 0.85 HPGD (0.55) HPGDALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL29957234 0.85 HPGD (0.55) HPGDALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL14530825 0.84 HPGD (0.50) HPGDALDH1A1LMNARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4438151-A ADDITION COPOLYMERIZATION ON SURFACE TEIJIN LIMITED (JP) 1984-03-20 US claimed
EP-0968173-B1 PROCESS FOR THE PREPARATION OF IODINATED CONTRAST AGENTS AND INTERMEDIATES THEREFOR AMERSHAM HEALTH AS (NO) 2003-04-16 EP disclosed
US-6153771-A 5-SUBSTITUTED ISOPHTHALIC ACID BIS(ALLYLAMIDE) OR CORRESPONDING EPOXIDE OF THE ALLYL GROUPS; INTERMEDIATE FOR IOHEXOL NYCOMED IMAGING AS (NO) 2000-11-28 US disclosed
US-5824821-A EPOXIDATION OF ALLYLAMINO COMPOUND, HYDROLYSIS TO YIELD 2,3-DIHYDROXYPROPYLAMINO COMPOUNDS NYCOMED IMAGING AS (NO) 1998-10-20 US disclosed
US-4438151-A ADDITION COPOLYMERIZATION ON SURFACE TEIJIN LIMITED (JP) 1984-03-20 US disclosed
US-4407848-A PROTECTIVE COATING OF COPOLYMER OF DIALLYL PHTHALATE AND POLYOXYETHYLENE GLYCOL ACRYLIC ESTER TEIJIN LIMITED (JP) 1983-10-04 US disclosed