SCHEMBL11310042

SCHEMBL11310042

COc1cc(NC(=O)c2ccccc2Cl)c([N+](=O)[O-])cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ G6PD P11413 1/20 0.53
▸ CRHBP P24387 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ PKM P14618 1/20 0.50

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
SCHEMBL11306224 0.85 HDAC1 (0.62) LMNAKMT2AMEN1HDAC1HDAC8
SCHEMBL11689166 0.85 HDAC1 (0.59) KMT2AMEN1HDAC1HDAC8HDAC6
SCHEMBL11306555 0.84 MAPK1 (0.65) KMT2AMEN1NPC1CYP3A4RAB9A
SCHEMBL11692577 0.82 HDAC1 (0.57) LMNAKMT2AMEN1HDAC1HDAC8
SCHEMBL11692881 0.81 MAPT (0.48) LMNAKMT2AMEN1ALDH1A1MAPT
SCHEMBL16592539 0.78 KCNMA1 (0.77) RORCLMNACRHBPCRHR2KMT2A
SCHEMBL29886218 0.78 KCNMA1 (0.77) RORCLMNACRHBPCRHR2KMT2A
SCHEMBL11307445 0.77 KDM4E (0.60) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL11320747 0.75 ALDH1A1 (0.64) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL11313551 0.75 KDM4E (0.62) KMT2AMEN1HDAC1HDAC8HDAC6

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
US-4263205-A FOR COLORING POLYMERS, LACQUERS CIBA-GEIGY CORPORATION (US) 1981-04-21 — — US disclosed
EP-0006154-A1 Monoazo pigments and their use in colouring high molecular-weight organic material CIBA-GEIGY AG (CH) 1980-01-09 — — EP disclosed
US-4062838-A LACQUERS, PRINTING INKS, YELLOW TO ORANGE CIBA-GEIGY CORPORATION (US) 1977-12-13 — — US disclosed
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