SCHEMBL9217848

SCHEMBL9217848

[CH2]OC(=O)C(F)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
SRC P12931 3/20 0.41
CYP2D6 P10635 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL7279830 0.83 KMT2A (0.47) KMT2ASRCCYP2D6LMNACYP1A2
SCHEMBL13715537 0.79 KMT2A (0.44) KMT2ASRCCYP2D6LMNACYP1A2
SCHEMBL27309507 0.79 KMT2A (0.44) KMT2ASRCCYP2D6LMNACYP1A2
SCHEMBL2078143 0.79 KMT2A (0.64) KMT2ALMNA
SCHEMBL2401919 0.79 KMT2A (0.64) KMT2ALMNA
SCHEMBL7955019 0.78 L3MBTL1 (0.56) KMT2ASRCCYP2D6HDAC3HDAC4
SCHEMBL27793738 0.78 L3MBTL1 (0.56) KMT2ASRCCYP2D6LMNACYP1A2
SCHEMBL11187257 0.77 LMNA (0.58) KMT2ASRCCYP2D6HDAC3HDAC4
SCHEMBL15689740 0.77 LMNA (0.58) KMT2ASRCCYP2D6HDAC3HDAC4
SCHEMBL324209 0.76 MMP8 (0.56) KMT2ALMNACYP1A2SMN1; SMN2MMP8

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-0389425-B1 Benzotiopyranyl amines CIBA GEIGY AG (CH) 1995-04-26 EP disclosed
US-5071858-A Antipsychotic benzothiopyranylamines CIBA-GEIGY CORPORATION (US) 1991-12-10 US disclosed
EP-0389425-A1 Benzotiopyranyl amines CIBA-GEIGY AG (CH) 1990-09-26 EP disclosed