SCHEMBL31258998

SCHEMBL31258998

O=c1[nH]c2cc(Br)ccc2n1CC1CCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.52
EPHX2 P34913 1/20 0.45
PPARG P37231 1/20 0.45
HPGD P15428 1/20 0.45
OPRM1 P35372 5/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
TP53 P04637 1/20 0.40
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
RORC P51449 1/20 0.39
MAPK8 P45983 2/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL6904502 0.76 CYP1A2 (0.60) OPRM1MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL22122308 0.75 OPRM1 (0.59) OPRM1ALDH1A1CHRM1DRD2PLD2
SCHEMBL7248358 0.75 HPGD (0.74) MAPK9EPHX2PPARGHPGDOPRM1
SCHEMBL2321983 0.75 LMNA (0.53) OPRM1ALDH1A1KMT2ACHRM1PLD2
SCHEMBL5278517 0.74 MAPK9 (0.51) MAPK9EPHX2PPARGHPGDOPRM1
SCHEMBL5241130 0.74 MAPK9 (0.67) MAPK9EPHX2PPARGHPGDOPRM1
SCHEMBL5242145 0.74 MAPK9 (0.51) MAPK9EPHX2PPARGHPGDOPRM1
SCHEMBL739521 0.73 HPGD (0.62) HPGDOPRM1MEN1ALDH1A1CYP3A4
SCHEMBL5241797 0.73 MAPK9 (0.66) MAPK9EPHX2PPARGHPGDOPRM1
SCHEMBL2949618 0.73 MTOR (0.55) MAPK9EPHX2PPARGHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119060045-A Thiazole urea derivative and application thereof 杭州百新生物医药科技有限公司 2024-12-03 CN disclosed