SCHEMBL8370289

SCHEMBL8370289

COC(C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.56
▸ ALDH1A1 P00352 6/20 0.56
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ POLB P06746 2/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ MAPT P10636 6/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ NTRK1 P04629 1/20 0.53
▸ CDK19 Q9BWU1 1/20 0.53
▸ LMNA P02545 7/20 0.51
▸ HTT P42858 2/20 0.51
▸ SLC2A1 P11166 1/20 0.51
▸ P2RX1 P51575 1/20 0.51
▸ P2RX4 Q99571 1/20 0.51
▸ P2RX7 Q99572 1/20 0.51

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
SCHEMBL8368524 0.84 MAPT (0.58) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL9795519 0.84 MAPT (0.58) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL6685970 0.81 KDM4E (0.49) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL14459434 0.76 KMT2A (0.74) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL19638131 0.75 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL9795561 0.75 NTRK1 (0.57) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL9338885 0.75 MAPT (0.62) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5561958 0.75 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL31093984 0.75 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL9871765 0.75 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2

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
EP-0910358-A1 PHENYL DERIVATIVES USEFUL AS BLOCKERS OF CHLORIDE CHANNELS NEUROSEARCH A/S (DK) 1999-04-28 — — EP disclosed
EP-0693053-B1 UREA AND AMIDE DERIVATIVES AND THEIR USE IN THE CONTROL OF CELL MEMBRANE POTASSIUM CHANNELS NEUROSEARCH AS (DK) 1999-01-20 — — EP disclosed
US-5696138-A Urea derivatives and their use NEUROSEARCH A/S (DK) 1997-12-09 — — US disclosed
WO-1997045111-A1 PHENYL DERIVATIVES USEFUL AS BLOCKERS OF CHLORIDE CHANNELS NEUROSEARCH A/S (DK) 1997-12-04 — — WO disclosed
EP-0693053-A1 UREA AND AMIDE DERIVATIVES AND THEIR USE IN THE CONTROL OF CELL MEMBRANE POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 1996-01-24 — — EP disclosed
WO-1994022807-A1 UREA AND AMIDE DERIVATIVES AND THEIR USE IN THE CONTROL OF CELL MEMBRANE POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 1994-10-13 — — WO disclosed
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