SCHEMBL6621242

SCHEMBL6621242

O=C(Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3Cl)n2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.49
▸ CCR2 P41597 4/20 0.44
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ DCUN1D1 Q96GG9 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ RAF1 P04049 3/20 0.41
▸ BRAF P15056 2/20 0.39
▸ ADCY8 P40145 1/20 0.39
▸ ADCY1 Q08828 1/20 0.39
▸ KCNQ3 O43525 1/20 0.39
▸ KCNQ2 O43526 1/20 0.39
▸ KCNE1 P15382 1/20 0.39
▸ KCNQ1 P51787 1/20 0.39
▸ ACKR3 P25106 1/20 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
SCHEMBL6618645 0.99 TP53 (0.49) TP53CCR2MAPTLMNASMN1; SMN2
SCHEMBL6617441 0.90 RAF1 (0.45) CCR2RAF1BRAF
SCHEMBL6620165 0.88 RAF1 (0.44) LMNARAF1BRAFACKR3
SCHEMBL6616122 0.88 RAF1 (0.46) RAF1BRAFADCY8ADCY1DDR2
SCHEMBL6615137 0.87 RAF1 (0.41) CCR2RAF1BRAFADCY8ADCY1
SCHEMBL6617708 0.87 ACKR3 (0.41) MAPTLMNASMN1; SMN2ACKR3
SCHEMBL6617068 0.86 PKM (0.38) TP53MAPTLMNASMN1; SMN2CHRM5
SCHEMBL6617382 0.85 RAF1 (0.42) LMNARAF1BRAFADCY8ADCY1
SCHEMBL6685899 0.85 RAF1 (0.42) RAF1BRAFACKR3
SCHEMBL6617712 0.85 RAF1 (0.44) TP53CCR2MAPTLMNARAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
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