SCHEMBL11335494

SCHEMBL11335494

O=C(O)c1nccn1C(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ FAAH O00519 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NAPRT Q6XQN6 1/20 0.36
▸ P4HTM Q9NXG6 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ OPRD1 P41143 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35

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
SCHEMBL28706183 0.85 LMNA (0.44) KDM4ELMNAALDH1A1TDP1L3MBTL1
SCHEMBL28705125 0.83 ALDH1A1 (0.51) KDM4ELMNAALDH1A1TDP1OPRD1
SCHEMBL28935871 0.80 KDM4C (0.46) KDM4ELMNAALDH1A1OPRD1OPRK1
SCHEMBL11335498 0.76 MGLL (0.38) CYP19A1KDM4EFAAHMGLLLMNA
SCHEMBL28182708 0.74 PTGS2 (0.34) —
SCHEMBL1431164 0.74 SMN1; SMN2 (0.40) ALDH1A1OPRD1OPRK1
SCHEMBL8865912 0.72 CYP19A1 (0.40) CYP19A1KDM4EFAAHMGLLALDH1A1
SCHEMBL11330557 0.72 CYP19A1 (0.40) CYP19A1KDM4EALDH1A1TDP1OPRD1
SCHEMBL28416467 0.71 FPR2 (0.43) KDM4ELMNAALDH1A1
SCHEMBL20591026 0.71 TTR (0.43) ALDH1A1TDP1OPRD1KMT2AOPRK1

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-0000373-B1 IMIDAZOLE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PLANT GROWTH REGULANTS OR PLANT PROTECTION AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1981-01-07 — — EP disclosed
US-4182624-A FUNGICIDES, HERBICIDES, PLANT GROWTH REGULATORS HOECHST AKTIENGESELLSCHAFT (DE) 1980-01-08 — — US disclosed
EP-0000373-A1 Imidazole carboxylic acids and derivatives thereof, process for their preparation and their use as plant growth regulants or plant protection agents HOECHST AKTIENGESELLSCHAFT (DE) 1979-01-24 — — EP disclosed
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