SCHEMBL7279979

SCHEMBL7279979

O=C1CCCC(=O)N1CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
POLB P06746 2/20 0.42
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
LMNA P02545 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
PIK3CD O00329 1/20 0.32
TSHR P16473 1/20 0.31
HTR1A P08908 1/20 0.30
ADRA1B P35368 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2106319 0.88
SCHEMBL6580205 0.79 KMT2A (0.48) KMT2AMEN1POLBCHRM2CHRM4
SCHEMBL16116449 0.77
SCHEMBL4531618 0.75 MEN1 (0.55) KMT2AMEN1POLBCHRM2CHRM4
SCHEMBL11052023 0.74 MEN1 (0.53) KMT2AMEN1POLBBRD4BRD2
SCHEMBL719466 0.72 F2 (0.48) KMT2AMEN1POLBCHRM2CHRM4
SCHEMBL6044381 0.72 KMT2A (0.42) KMT2AMEN1POLBCHRM2CHRM4
SCHEMBL10799321 0.72 KMT2A (0.42) KMT2AMEN1POLBCHRM2CHRM4
SCHEMBL8282999 0.72 KMT2A (0.42) KMT2AMEN1POLBCHRM2CHRM4
SCHEMBL9344572 0.72 KMT2A (0.42) KMT2AMEN1POLBCHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574758-B1 Hydroxamic acid derivatives as collagenase inhibitors HOFFMANN LA ROCHE (CH) 1998-09-09 EP disclosed
US-5447929-A Collagenase inhibitors for degenerative joint disease, antitumor agents or atherosclerosis HOFFMANN-LA ROCHE INC. (US) 1995-09-05 US disclosed
US-5318964-A Collangenase inhibitors; antiarthritic and -tumor agents; rheumatic diseases; osteoarthritis; atherosclerosis; multiple sclerosis HOFFMANN-LA ROCHE INC. (US) 1994-06-07 US disclosed
EP-0574758-A1 Hydroxamic acid derivatives as collagenase inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1993-12-22 EP disclosed
US-4629683-A STORAGE STABILITY AND TIMELY RELEASE OF PHOTOGRAPHICALLY USEFUL AGENT FUJI PHOTO FILM CO., LTD. (JP) 1986-12-16 US disclosed