SCHEMBL9681693

SCHEMBL9681693

COc1ccccc1Oc1cc(Cl)nc(N)n1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.60
HSP90AB1 P08238 5/20 0.60
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
ADCY10 Q96PN6 1/20 0.46
DHPS P49366 4/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL13236122 0.81 KMT2A (0.54) HSP90AA1HSP90AB1MEN1KMT2ASMN1; SMN2
SCHEMBL29692670 0.79 DHPS (0.56) MEN1KMT2AALDH1A1MAPTDHPS
SCHEMBL28796730 0.79 DHPS (0.56) MEN1KMT2AALDH1A1MAPTDHPS
SCHEMBL7304397 0.79 DHPS (0.62) HSP90AA1HSP90AB1ALDH1A1DHPSADORA2A
SCHEMBL154744 0.77 KMT2A (0.55) HSP90AA1HSP90AB1MEN1KMT2ASMN1; SMN2
SCHEMBL29642361 0.77 KMT2A (0.55) HSP90AA1HSP90AB1MEN1KMT2ASMN1; SMN2
SCHEMBL9364501 0.77 MEN1 (0.60) HSP90AA1HSP90AB1MEN1KMT2ASMN1; SMN2
SCHEMBL16441869 0.77 MEN1 (0.75) HSP90AA1HSP90AB1MEN1KMT2ASMN1; SMN2
SCHEMBL3718236 0.75 HSP90AA1 (1.00) HSP90AA1HSP90AB1ADCY10ADORA2AADORA1
SCHEMBL7294576 0.75 ALDH1A1 (0.55) HSP90AA1HSP90AB1SMN1; SMN2ALDH1A1MAPT

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
US-5100459-A Herbicides, plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
US-5032167-A Herbicides BASF (DE) 1991-07-16 US disclosed