SCHEMBL9761190

SCHEMBL9761190

Cc1c(N)n[nH]c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
CCNE2 O96020 3/20 0.35
CCNE1 P24864 3/20 0.35
CDK2 P24941 3/20 0.35
HTT P42858 3/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCNT1 O60563 2/20 0.33
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
CDK9 P50750 2/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33
CCNA1 P78396 1/20 0.33

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
SCHEMBL10420191 0.78 DYRK1A (0.42) TSHRHTTMAPTNPC1RAB9A
SCHEMBL12334710 0.78 CCNE2 (0.37) CCNE2CCNE1CDK2MAPTCCNT1
SCHEMBL14295795 0.77 MAPT (0.35) TSHRHTTMAPTNPC1RAB9A
SCHEMBL28581246 0.77 CCNE2 (0.36) CCNE2CCNE1CDK2HTTMAPT
SCHEMBL25792266 0.75 MAPT (0.40) TSHRHTTMAPTNPC1RAB9A
SCHEMBL9353447 0.75 TDP1 (0.39) TSHRHTTMAPTNPC1RAB9A
SCHEMBL9354794 0.71 HTT (0.49) HTTMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL27589197 0.71 MAPT (0.46) HTTMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9761370 0.70 KDM4E (0.34) CCNE2CCNE1CDK2MEN1KMT2A
Hydrochloric Acid SCHEMBL20702180 0.69 HTT (0.47) HTTMAPTNPC1RAB9ASMN1; SMN2

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-5026694-A Antitumor agents THE BRITISH COLUMBIA CANCER FOUNDATION (CA) 1991-06-25 US disclosed