SCHEMBL11748552

SCHEMBL11748552

O=C(c1ccccc1)n1nc(-c2ccccc2)cc1Sc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
KMT2A Q03164 4/20 0.45
F2 P00734 3/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GRM5 P41594 3/20 0.44
TP53 P04637 2/20 0.42
LMNA P02545 3/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CXCR5 P32302 1/20 0.39
APLNR P35414 1/20 0.39
CCR6 P51684 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
POLB P06746 1/20 0.39
F12 P00748 1/20 0.39

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
SCHEMBL11747431 0.85 NR1H2 (0.44) MAPTKMT2AF2HPGDCYP1A2
SCHEMBL11752557 0.81 CHEK1 (0.40) MAPTF2HPGDGRM5LMNA
SCHEMBL11746060 0.80 MAPT (0.40) MAPTKMT2AHPGDCYP2C9CYP2C19
SCHEMBL2551230 0.76 KLK3 (0.52) MAPTKMT2AF2HPGDCYP1A2
SCHEMBL3370342 0.74 KMT2A (0.45) MAPTKMT2AF2HPGDCYP1A2
SCHEMBL6562420 0.72 GRM5 (0.68) GRM5LMNA
SCHEMBL11752608 0.72 SMN1; SMN2 (0.44) MAPTKMT2ASMN1; SMN2POLBRAB9A
SCHEMBL27474439 0.71 MAPT (0.68) MAPTKMT2AGRM5TP53ALDH1A1
SCHEMBL2569658 0.71 F2 (0.60) MAPTKMT2AF2HPGDCYP1A2
SCHEMBL11751629 0.71 ALDH1A1 (0.51) MAPTKMT2AHPGDGRM5LMNA

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-4008249-A HERBICIDE, PLANT GROWTH REGULATOR BASF AKTIENGESELLSCHAFT (DT) 1977-02-15 US disclosed