SCHEMBL9465649

SCHEMBL9465649

Clc1sc(-c2ccccc2)nc1C1=N[N]C=C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
POLB P06746 1/20 0.37
CDC7 O00311 2/20 0.35
DBF4 Q9UBU7 2/20 0.35
MAPT P10636 2/20 0.35
APEX1 P27695 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9466142 0.72 ALDH1A1 (0.43) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL1065840 0.70 ALDH1A1 (0.38) ALDH1A1CYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL9464656 0.69 SREBF2 (0.55) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL9465604 0.69 NPC1 (0.48) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL31357892 0.66 SMN1; SMN2 (0.56) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL9465030 0.66 SREBF2 (0.55) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL11462189 0.65 KDM4E (0.58) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL11460695 0.65 KDM4E (0.58) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL11284205 0.65 KDM4E (0.58) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL14148598 0.64 KDM4E (0.57) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5246914-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-09-21 US disclosed