SCHEMBL10712062

SCHEMBL10712062

O=C(C(c1ccccc1)c1ccc[nH]1)C(c1ccccc1)c1ccc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ CTSD P07339 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NAPRT Q6XQN6 1/20 0.37

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
SCHEMBL5666091 0.89 TDP1 (0.44) TDP1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL465969 0.76 TDP1 (0.61) TDP1L3MBTL1HDAC3HDAC4HDAC1
Phosphine SCHEMBL28775755 0.74 TDP1 (0.58) TDP1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL8026287 0.74 SMN1; SMN2 (0.39) L3MBTL1LMNAMAPK1MEN1KMT2A
SCHEMBL28802086 0.74 NAPRT (0.36) L3MBTL1POLBNAPRTMEN1THRB
SCHEMBL10866718 0.73 NAPRT (0.33) CYP2D6NAPRT
SCHEMBL270836 0.73 SLC6A2 (0.44) HDAC1HDAC8HDAC6KMT2ACES2
SCHEMBL5865581 0.73 KMT2A (0.47) HDAC1HDAC8HDAC6KMT2ACES2
SCHEMBL28854086 0.72 TRPA1 (0.38) L3MBTL1POLBLMNANAPRT
SCHEMBL11019672 0.72 TRPA1 (0.38) L3MBTL1POLBLMNANAPRT

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-0149426-B1 MICROBIZIDES CIBA-GEIGY AG (CH) 1988-05-04 — — EP disclosed
EP-0077479-A2 Phenoxyphenyl-azolylmethyl ketones and carbinols, process for their preparation and their use as fungicides and intermediates BAYER AG (DE) 1983-04-27 — — EP disclosed
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