SCHEMBL5605093

SCHEMBL5605093

CN1CCN(c2cc3c(cc2[N+](=O)[O-])c(I)nn3C2CCCCO2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
MAPT P10636 7/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 4/20 0.42
KMT2A Q03164 1/20 0.40
ATR Q13535 1/20 0.39
ALOX12 P18054 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
HTR6 P50406 1/20 0.36

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
SCHEMBL5604700 0.92 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2D6
SCHEMBL5593701 0.84 ATR (0.41) ALDH1A1MAPTLMNAATRHTT
SCHEMBL5593656 0.83 KMT2A (0.36) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL5593876 0.81 CYP1A2 (0.35) ALDH1A1MAPTSMN1; SMN2CYP1A2KMT2A
SCHEMBL1026761 0.81 KMT2A (0.36) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL5612758 0.79 BRPF1 (0.40) MAPTSMN1; SMN2KMT2AATR
SCHEMBL5593774 0.79 AURKA (0.40) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2D6
SCHEMBL5593784 0.78 MAPT (0.44) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2D6
SCHEMBL5593628 0.75 IP6K1 (0.36) ALDH1A1LMNAATRGAA
SCHEMBL31475214 0.74 CYP1A2 (0.39) ALDH1A1MAPTSMN1; SMN2CYP1A2

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-2007058626-A1 INDAZOLE COMPOUNDS S*BIO PTE LTD (SG) 2007-05-24 WO disclosed