SCHEMBL11278901

SCHEMBL11278901

O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ RAB9A P51151 7/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ SMN1; SMN2 Q16637 6/20 0.45
▸ PKM P14618 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPK14 Q16539 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ PTGES O14684 1/20 0.42
▸ MITF O75030 1/20 0.42

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
SCHEMBL11273766 0.92 SMN1; SMN2 (0.47) HTTCYP1A2CYP2C9RAB9ANPC1
SCHEMBL11277938 0.91 PTGES (0.52) HTTCYP1A2CYP2C9RAB9ANPC1
SCHEMBL11277269 0.88 NPC1 (0.56) HTTCYP1A2CYP2C9RAB9ANPC1
SCHEMBL11267025 0.88 HTT (0.48) HTTCYP1A2CYP2C9RAB9ANPC1
SCHEMBL11276599 0.84 TLR7 (0.43) HTTCYP1A2CYP2C9RAB9ANPC1
SCHEMBL11273156 0.84 MAPK14 (0.49) MAPTSMN1; SMN2PKMKMT2AMAPK14
SCHEMBL11277798 0.84 ITGB1 (0.43) HTTCYP1A2RAB9AALDH1A1MAPT
SCHEMBL11276064 0.81 HTT (0.46) HTTCYP1A2CYP2C9RAB9ANPC1
SCHEMBL11282702 0.80 PYGL (0.48) HTTCYP1A2CYP2C9RAB9ANPC1
SCHEMBL11272719 0.80 ITGB1 (0.45) HTTRAB9ANPC1MAPTLMNA

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-0063413-A1 1-Benzoyl-3-(heterocyclic)ureas, compositions, and insecticidal method ELI LILLY AND COMPANY (US) 1982-10-27 — — EP claimed
US-4366155-A 1-Benzoyl-3-(6-oxopyridazinyl)ureas, compositions, and insecticidal method ELI LILLY AND COMPANY (US) 1982-12-28 — — US disclosed
EP-0063413-A1 1-Benzoyl-3-(heterocyclic)ureas, compositions, and insecticidal method ELI LILLY AND COMPANY (US) 1982-10-27 — — EP disclosed
Send feedback