SCHEMBL9365671

SCHEMBL9365671

N#CC1C=Cc2ccccc2N1C(=O)/C=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP1A2 P05177 1/20 0.42
▸ CYP1A1 P04798 4/20 0.40
▸ CYP1B1 Q16678 4/20 0.40
▸ MAOB P27338 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ ADAM17 P78536 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ NR1H3 Q13133 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
SCHEMBL9365677 1.00 LMNA (0.46) LMNAMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL9366555 0.88 ALDH1A1 (0.48) LMNAMEN1ALDH1A1KMT2AMAOB
SCHEMBL9366552 0.88 ALDH1A1 (0.48) LMNAMEN1ALDH1A1KMT2AMAOB
SCHEMBL9366481 0.88 LMNA (0.52) LMNAMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL9366482 0.88 LMNA (0.52) LMNAMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL9366567 0.88 LMNA (0.52) LMNAMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL9365679 0.87 LMNA (0.53) LMNAMEN1ALDH1A1KMT2ACYP1B1
SCHEMBL9365675 0.87 LMNA (0.53) LMNAMEN1ALDH1A1KMT2ACYP1B1
SCHEMBL9365482 0.86 KMT2A (0.48) LMNAMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL9365498 0.86 LMNA (0.48) LMNAMEN1ALDH1A1KMT2ACYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579695-A1 REISSERT COMPOUNDS AS ANTI-HIV AGENTS THE UPJOHN COMPANY (US) 1994-01-26 — — EP claimed
WO-1992016508-A1 REISSERT COMPOUNDS AS ANTI-HIV AGENTS THE UPJOHN COMPANY (US) 1992-10-01 — — WO claimed
WO-1992016508-A1 REISSERT COMPOUNDS AS ANTI-HIV AGENTS THE UPJOHN COMPANY (US) 1992-10-01 — — WO disclosed
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