SCHEMBL7736689

SCHEMBL7736689

C=CC(=Nc1ccccc1)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.53
▸ GRIN3B O60391 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ GRIN1 Q05586 1/20 0.53
▸ GRIN2A Q12879 1/20 0.53
▸ GRIN2B Q13224 1/20 0.53
▸ GRIN2C Q14957 1/20 0.53
▸ GRIN3A Q8TCU5 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ TGM2 P21980 2/20 0.50
▸ MAPT P10636 2/20 0.41
▸ CYP1A2 P05177 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ EPHX1 P07099 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
Hydrochloric Acid SCHEMBL9221356 0.98 GRIN2D (0.52) GRIN2DGRIN3BLMNACYP2D6SLC6A2
Hydrochloric Acid SCHEMBL19409081 0.81 KMT2A (0.46) GRIN2DGRIN3BLMNACYP2D6SLC6A2
Hydrochloric Acid SCHEMBL6537217 0.81 KMT2A (0.46) GRIN2DGRIN3BLMNACYP2D6SLC6A2
SCHEMBL11171963 0.80 TGM2 (0.53) GRIN2DGRIN3BLMNACYP2D6SLC6A2
SCHEMBL7739957 0.78 CRHR1 (0.44) LMNAKMT2ATDP1MAPTCYP1A2
SCHEMBL7738018 0.76 SIGMAR1 (0.48) KMT2ASIGMAR1MAPTCYP1A2SMN1; SMN2
SCHEMBL11785083 0.74 TGM2 (0.47) LMNAKMT2ATGM2MAPTCYP1A2
SCHEMBL11785090 0.74 TGM2 (0.47) LMNAKMT2ATGM2MAPTCYP1A2
SCHEMBL7737412 0.74 GRIN2D (0.48) GRIN2DGRIN3BLMNACYP2D6KMT2A
SCHEMBL7737407 0.73 L3MBTL1 (0.48) LMNAKMT2AMAPTSMN1; SMN2ALDH1A1

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
WO-2002000642-A1 METHOD FOR PREPARATION OF AN INTERMEDIATE DYE PRODUCT THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2002-01-03 — — WO disclosed
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